- InChI
- InChI=1S/C13H13NO4/c1-8(15)18-10-5-3-9(4-6-10)13(2)7-11(16)14-12(13)17/h3-6H,7H2,1-2H3,(H,14,16,17)
- InChI Key
- DGEYRUVEGABFCW-UHFFFAOYSA-N
- Formula
- C13H13NO4
- SMILES
-
CC(=O)Oc1ccc(C2(C)CC(=O)NC2=O)
cc1 - Molecular Weight1
- 247.25
- 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 | 0.6619 | Relay (1.0) Calculated Property | |
| ΔfG° | -198.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -641.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.916 | Crippen Calculated Property | |
| McVol | 179.970 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Inp | [2120.00; 2120.00] |
|
|
| Inp | 2120.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Tboil | 602.83 | K | Relay (1.0) Calculated Property |
| Tc | 870.17 | K | Relay (1.0) Calculated Property |
| Tfus | 426.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.22; 616.29] | J/mol×K | [804.50; 1069.47] |
|
| Cp,gas | 530.22 | J/mol×K | 804.50 | Joback Calculated Property |
| Cp,gas | 546.48 | J/mol×K | 848.66 | Joback Calculated Property |
| Cp,gas | 561.87 | J/mol×K | 892.82 | Joback Calculated Property |
| Cp,gas | 576.46 | J/mol×K | 936.99 | Joback Calculated Property |
| Cp,gas | 590.34 | J/mol×K | 981.15 | Joback Calculated Property |
| Cp,gas | 603.59 | J/mol×K | 1025.31 | Joback Calculated Property |
| Cp,gas | 616.29 | J/mol×K | 1069.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mesuximide, M (nor-HO-) isomer 1, AC.
Sources
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