- InChI
- InChI=1S/C31H55NO/c1-4-7-10-12-14-16-18-20-27-32(28-21-19-17-15-13-11-8-5-2)31(33)30-25-23-29(24-26-30)22-9-6-3/h23-26H,4-22,27-28H2,1-3H3
- InChI Key
- KCPZMQXUCJUWGY-UHFFFAOYSA-N
- Formula
- C31H55NO
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1
ccc(CCCC)cc1 - Molecular Weight1
- 457.77
- 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 | 1.2719 | Relay (1.0) Calculated Property | |
| ΔfG° | 294.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.753 | Crippen Calculated Property | |
| McVol | 435.440 | ml/mol | McGowan Calculated Property |
| Pc | 686.37 | kPa | Joback Calculated Property |
| Inp | [3700.00; 3700.00] |
|
|
| Inp | 3700.00 | NIST | |
| Inp | 3700.00 | NIST | |
| Tboil | 713.28 | K | Relay (1.0) Calculated Property |
| Tc | 911.35 | K | Relay (1.0) Calculated Property |
| Tfus | 303.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.655 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1528.26; 1647.40] | J/mol×K | [1006.65; 1240.52] |
|
| Cp,gas | 1528.26 | J/mol×K | 1006.65 | Joback Calculated Property |
| Cp,gas | 1551.52 | J/mol×K | 1045.63 | Joback Calculated Property |
| Cp,gas | 1573.23 | J/mol×K | 1084.61 | Joback Calculated Property |
| Cp,gas | 1593.54 | J/mol×K | 1123.58 | Joback Calculated Property |
| Cp,gas | 1612.58 | J/mol×K | 1162.56 | Joback Calculated Property |
| Cp,gas | 1630.49 | J/mol×K | 1201.54 | Joback Calculated Property |
| Cp,gas | 1647.40 | J/mol×K | 1240.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-didecyl-4-butyl-.
Sources
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