- InChI
- InChI=1S/C27H47NO/c1-3-5-7-9-11-13-18-24-28(25-19-14-12-10-8-6-4-2)27(29)23-22-26-20-16-15-17-21-26/h15-17,20-21H,3-14,18-19,22-25H2,1-2H3
- InChI Key
- JSSPVPYDOMZDRL-UHFFFAOYSA-N
- Formula
- C27H47NO
- SMILES
-
CCCCCCCCCN(CCCCCCCCC)C(=O)CCc1
ccccc1 - Molecular Weight1
- 401.67
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 270.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -409.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.76 | kJ/mol | Joback Calculated Property |
| log10WS | -8.57 | Crippen Calculated Property | |
| logPoct/wat | 7.949 | Crippen Calculated Property | |
| McVol | 379.080 | ml/mol | McGowan Calculated Property |
| Pc | 855.96 | kPa | Joback Calculated Property |
| Inp | [3001.00; 3001.00] |
|
|
| Inp | 3001.00 | NIST | |
| Inp | 3001.00 | NIST | |
| Tboil | 910.15 | K | Joback Calculated Property |
| Tc | 1114.30 | K | Joback Calculated Property |
| Tfus | 502.87 | K | Joback Calculated Property |
| Vc | 1.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1268.39; 1376.54] | J/mol×K | [910.15; 1114.30] |
|
| Cp,gas | 1268.39 | J/mol×K | 910.15 | Joback Calculated Property |
| Cp,gas | 1289.25 | J/mol×K | 944.17 | Joback Calculated Property |
| Cp,gas | 1308.86 | J/mol×K | 978.20 | Joback Calculated Property |
| Cp,gas | 1327.31 | J/mol×K | 1012.22 | Joback Calculated Property |
| Cp,gas | 1344.68 | J/mol×K | 1046.25 | Joback Calculated Property |
| Cp,gas | 1361.06 | J/mol×K | 1080.27 | Joback Calculated Property |
| Cp,gas | 1376.54 | J/mol×K | 1114.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dinonyl-3-phenyl-.
Sources
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