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wiki · 7.24k rows

CompName stringlengths 3 64	SMILES stringlengths 1 590 ⌀	Property stringclasses 18 values	Value float64 -268.93 426k	unit stringclasses 13 values	Source stringclasses 1 value
Ammonia	N	Viscosity	0.276	[mPas]	Wikipedia/Wikidata
Ammonia	N	Vapor pressure	857.3	[kPa]	Wikipedia/Wikidata
Ammonia	N	Refractive index	1.3327	[-]	Wikipedia/Wikidata
Ammonia	N	Melting temperature	-77.73	[oC]	Wikipedia/Wikidata
Ammonia	N	Absolute molar magnetic susceptibility	18	[10^-6 cm3/mol]	Wikipedia/Wikidata
Ammonia	N	Boiling temperature	-33.34	[oC]	Wikipedia/Wikidata
Acetylene	C#C	Melting temperature	-80.8	[oC]	Wikipedia/Wikidata
Acetylene	C#C	Absolute molar magnetic susceptibility	12.5	[10^-6 cm3/mol]	Wikipedia/Wikidata
Acetylene	C#C	Absolute standard enthalpy of formation	226.88	[kJ/mol]	Wikipedia/Wikidata
Adenosine triphosphate	O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O	Melting temperature	187	[oC]	Wikipedia/Wikidata
Adenosine triphosphate	O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O	Density	1.04	[g/cm3]	Wikipedia/Wikidata
Chemistry of ascorbic acid	OC=1C(OC(=O)C=1O)[C@@H](O)CO	Density	1.65	[g/cm3]	Wikipedia/Wikidata
Amygdalin	O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3OC[C@H]2O[C@@H](OC(C#N)c1ccccc1)[C@H](O)[C@@H](O)[C@@H]2O	Melting temperature	223	[oC]	Wikipedia/Wikidata
Bakelite	null	Density	1.21	[g/cm3]	Wikipedia/Wikidata
Carbon dioxide	O=C=O	Viscosity	0.7	[mPas]	Wikipedia/Wikidata
Carbon dioxide	O=C=O	Vapor pressure	5,730	[kPa]	Wikipedia/Wikidata
Carbon dioxide	O=C=O	Refractive index	1.00045	[-]	Wikipedia/Wikidata
Carbon dioxide	O=C=O	Melting temperature	-56.4	[oC]	Wikipedia/Wikidata
Carbon dioxide	O=C=O	Absolute molar magnetic susceptibility	20.5	[10^-6 cm3/mol]	Wikipedia/Wikidata
Carbon dioxide	O=C=O	Molar Heat Capacity	37.135	[J/mol/K]	Wikipedia/Wikidata
Carbon dioxide	O=C=O	Dipole Moment	0	[debye]	Wikipedia/Wikidata
Carbon dioxide	O=C=O	Absolute standard enthalpy of formation	393.5	[kJ/mol]	Wikipedia/Wikidata
Carbon monoxide	[C-]#[O+]	Refractive index	1.000336	[-]	Wikipedia/Wikidata
Carbon monoxide	[C-]#[O+]	Melting temperature	-205.02	[oC]	Wikipedia/Wikidata
Carbon monoxide	[C-]#[O+]	Absolute molar magnetic susceptibility	9.8	[10^-6 cm3/mol]	Wikipedia/Wikidata
Carbon monoxide	[C-]#[O+]	Molar Heat Capacity	29.1	[J/mol/K]	Wikipedia/Wikidata
Carbon monoxide	[C-]#[O+]	Dipole Moment	0.122	[debye]	Wikipedia/Wikidata
Carbon monoxide	[C-]#[O+]	Density	0.789	[g/cm3]	Wikipedia/Wikidata
Carbon monoxide	[C-]#[O+]	Absolute standard enthalpy of formation	110.5	[kJ/mol]	Wikipedia/Wikidata
Carbon monoxide	[C-]#[O+]	Boiling temperature	-191.5	[oC]	Wikipedia/Wikidata
Cellulose	null	Melting temperature	260	[oC]	Wikipedia/Wikidata
Cellulose	null	Density	1.5	[g/cm3]	Wikipedia/Wikidata
Cellulose	null	Absolute standard enthalpy of formation	963	[kJ/mol]	Wikipedia/Wikidata
DDT	Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl	Melting temperature	108.5	[oC]	Wikipedia/Wikidata
DDT	Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl	Density	0.99	[g/cm3]	Wikipedia/Wikidata
DDT	Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl	Boiling temperature	260	[oC]	Wikipedia/Wikidata
Dehydroepiandrosterone	O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2CC3)\C[C@@H](O)CC4)C)C	Melting temperature	148.5	[oC]	Wikipedia/Wikidata
Ethylene	C=C	Melting temperature	-169.2	[oC]	Wikipedia/Wikidata
Ethylene	C=C	Absolute molar magnetic susceptibility	15.3	[10^-6 cm3/mol]	Wikipedia/Wikidata
Ethylene	C=C	Absolute standard enthalpy of formation	52.47	[kJ/mol]	Wikipedia/Wikidata
Ethylene	C=C	Boiling temperature	-103.7	[oC]	Wikipedia/Wikidata
Ethanol	null	Vapor pressure	5.95	[kPa]	Wikipedia/Wikidata
Ethanol	null	Absolute molar magnetic susceptibility	33.6	[10^-6 cm3/mol]	Wikipedia/Wikidata
Ethanol	null	Partition coefficient	-0.18	[-]	Wikipedia/Wikidata
Ethanol	null	Density	3.246	[g/cm3]	Wikipedia/Wikidata
Guanine	c1[nH]c2c(n1)c(=O)nc(n2)N	Melting temperature	360	[oC]	Wikipedia/Wikidata
Guanine	c1[nH]c2c(n1)c(=O)nc(n2)N	Density	2.2	[g/cm3]	Wikipedia/Wikidata
Hydrogen peroxide	OO	Viscosity	1.245	[mPas]	Wikipedia/Wikidata
Hydrogen peroxide	OO	Refractive index	1.4061	[-]	Wikipedia/Wikidata
Hydrogen peroxide	OO	Melting temperature	-0.43	[oC]	Wikipedia/Wikidata
Hydrogen peroxide	OO	Absolute molar magnetic susceptibility	17.7	[10^-6 cm3/mol]	Wikipedia/Wikidata
Hydrogen peroxide	OO	Heat Capacity	1.267	[J/g/K]	Wikipedia/Wikidata
Hydrogen peroxide	OO	Dipole Moment	2.26	[debye]	Wikipedia/Wikidata
Hydrogen peroxide	OO	Density	1.45	[g/cm3]	Wikipedia/Wikidata
Hydrogen peroxide	OO	Absolute standard enthalpy of formation	187.8	[kJ/mol]	Wikipedia/Wikidata
Hydrogen peroxide	OO	Boiling temperature	150.2	[oC]	Wikipedia/Wikidata
Lithium carbonate	[Li+].[Li+].[O-]C([O-])=O	Refractive index	1.428	[-]	Wikipedia/Wikidata
Lithium carbonate	[Li+].[Li+].[O-]C([O-])=O	Melting temperature	723	[oC]	Wikipedia/Wikidata
Lithium carbonate	[Li+].[Li+].[O-]C([O-])=O	Absolute molar magnetic susceptibility	27	[10^-6 cm3/mol]	Wikipedia/Wikidata
Lithium carbonate	[Li+].[Li+].[O-]C([O-])=O	Density	2.11	[g/cm3]	Wikipedia/Wikidata
Lithium carbonate	[Li+].[Li+].[O-]C([O-])=O	Boiling temperature	1,310	[oC]	Wikipedia/Wikidata
Nitric acid	[N+](=O)(O)[O-]	Refractive index	1.397	[-]	Wikipedia/Wikidata
Nitric acid	[N+](=O)(O)[O-]	Melting temperature	-42	[oC]	Wikipedia/Wikidata
Nitric acid	[N+](=O)(O)[O-]	Density	1.51	[g/cm3]	Wikipedia/Wikidata
Nitric acid	[N+](=O)(O)[O-]	Boiling temperature	83	[oC]	Wikipedia/Wikidata
Purine	c1c2c(nc[nH]2)ncn1	Melting temperature	214	[oC]	Wikipedia/Wikidata
Pyrimidine	c1cncnc1	Density	1.016	[g/cm3]	Wikipedia/Wikidata
Pyrimidine	c1cncnc1	Boiling temperature	123	[oC]	Wikipedia/Wikidata
Paraffin wax	null	Melting temperature	37	[oC]	Wikipedia/Wikidata
Phenol	c1ccc(cc1)O	Melting temperature	40.5	[oC]	Wikipedia/Wikidata
Phenol	c1ccc(cc1)O	Dipole Moment	1.224	[debye]	Wikipedia/Wikidata
Phenol	c1ccc(cc1)O	Density	1.07	[g/cm3]	Wikipedia/Wikidata
Phenol	c1ccc(cc1)O	Boiling temperature	181.7	[oC]	Wikipedia/Wikidata
Piperidine	C1CCNCC1	Viscosity	1.573	[mPas]	Wikipedia/Wikidata
Piperidine	C1CCNCC1	Melting temperature	-7	[oC]	Wikipedia/Wikidata
Piperidine	C1CCNCC1	Absolute molar magnetic susceptibility	64.2	[10^-6 cm3/mol]	Wikipedia/Wikidata
Piperidine	C1CCNCC1	Density	0.862	[g/cm3]	Wikipedia/Wikidata
Piperidine	C1CCNCC1	Boiling temperature	106	[oC]	Wikipedia/Wikidata
Phenothiazine	c1ccc2c(c1)Nc3ccccc3S2	Melting temperature	185	[oC]	Wikipedia/Wikidata
Phenothiazine	c1ccc2c(c1)Nc3ccccc3S2	Absolute molar magnetic susceptibility	114.8	[10^-6 cm3/mol]	Wikipedia/Wikidata
Phenothiazine	c1ccc2c(c1)Nc3ccccc3S2	Boiling temperature	371	[oC]	Wikipedia/Wikidata
TNT	Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	Melting temperature	80.35	[oC]	Wikipedia/Wikidata
TNT	Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	Density	1.654	[g/cm3]	Wikipedia/Wikidata
TNT	Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	Boiling temperature	240	[oC]	Wikipedia/Wikidata
Toluene	Cc1ccccc1	Viscosity	0.59	[mPas]	Wikipedia/Wikidata
Toluene	Cc1ccccc1	Refractive index	1.497	[-]	Wikipedia/Wikidata
Toluene	Cc1ccccc1	Melting temperature	-95	[oC]	Wikipedia/Wikidata
Toluene	Cc1ccccc1	Absolute molar magnetic susceptibility	66.11	[10^-6 cm3/mol]	Wikipedia/Wikidata
Toluene	Cc1ccccc1	Dipole Moment	0.36	[debye]	Wikipedia/Wikidata
Toluene	Cc1ccccc1	Boiling temperature	111	[oC]	Wikipedia/Wikidata
Polytetrafluoroethylene	null	Thermal Conductivity	0.25	[W/m/K]	Wikipedia/Wikidata
Polytetrafluoroethylene	null	Melting temperature	327	[oC]	Wikipedia/Wikidata
Polytetrafluoroethylene	null	Density	2.2	[g/cm3]	Wikipedia/Wikidata
Testosterone	O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](O)CC[C@H]3[C@@H]1CC2)C)(C)CC4	Melting temperature	155	[oC]	Wikipedia/Wikidata
Urea	C(=O)(N)N	Absolute molar magnetic susceptibility	33.4	[10^-6 cm3/mol]	Wikipedia/Wikidata
Urea	C(=O)(N)N	Density	1.32	[g/cm3]	Wikipedia/Wikidata
Nitrous oxide	N#[N+][O-]	Vapor pressure	5,150	[kPa]	Wikipedia/Wikidata
Nitrous oxide	N#[N+][O-]	Refractive index	1.000516	[-]	Wikipedia/Wikidata
Nitrous oxide	N#[N+][O-]	Melting temperature	-90.86	[oC]	Wikipedia/Wikidata
Nitrous oxide	N#[N+][O-]	Absolute molar magnetic susceptibility	18.9	[10^-6 cm3/mol]	Wikipedia/Wikidata

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Source/split

wiki
- Data from wikipedia and wikidata
- CC-BY-SA license
Bradley
- Data from Jean-Claude Bradley Open Melting Point Dataset
RadonPy
- Simulated data from RadonPy
- BSD 3-Clause License

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