- InChI
- InChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)
- InChI Key
- VNLMRPAWAMPLNZ-UHFFFAOYSA-N
- Formula
- C10H14N2O4
- SMILES
- C=CCC1(CC(C)O)C(=O)NC(=O)NC1=O
- Molecular Weight1
- 226.23
- CAS
- 42013-22-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7362 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.314 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Inp | [1837.00; 1837.00] |
|
|
| Inp | 1837.00 | NIST | |
| Inp | 1837.00 | NIST | |
| Tboil | 605.59 | K | Relay (1.0) Calculated Property |
| Tc | 864.47 | K | Relay (1.0) Calculated Property |
| Tfus | 418.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.14; 599.66] | J/mol×K | [836.97; 1077.73] |
|
| Cp,gas | 524.14 | J/mol×K | 836.97 | Joback Calculated Property |
| Cp,gas | 538.60 | J/mol×K | 877.10 | Joback Calculated Property |
| Cp,gas | 552.29 | J/mol×K | 917.22 | Joback Calculated Property |
| Cp,gas | 565.23 | J/mol×K | 957.35 | Joback Calculated Property |
| Cp,gas | 577.43 | J/mol×K | 997.48 | Joback Calculated Property |
| Cp,gas | 588.90 | J/mol×K | 1037.60 | Joback Calculated Property |
| Cp,gas | 599.66 | J/mol×K | 1077.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Barbituric acid, 5-(2-propenyl)-5-(2-hydroxypropyl).
Sources
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