- InChI
- InChI=1S/C27H47NO/c1-4-7-10-12-14-16-23-28(24-17-15-13-11-8-5-2)27(29)26-21-19-25(20-22-26)18-9-6-3/h19-22H,4-18,23-24H2,1-3H3
- InChI Key
- AQCTTZXJOUPBOP-UHFFFAOYSA-N
- Formula
- C27H47NO
- SMILES
-
CCCCCCCCN(CCCCCCCC)C(=O)c1ccc(
CCCC)cc1 - 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° | 261.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.42 | kJ/mol | Joback Calculated Property |
| log10WS | -9.12 | Crippen Calculated Property | |
| logPoct/wat | 8.192 | Crippen Calculated Property | |
| McVol | 379.080 | ml/mol | McGowan Calculated Property |
| Pc | 848.50 | kPa | Joback Calculated Property |
| Inp | [2969.00; 2969.00] |
|
|
| Inp | 2969.00 | NIST | |
| Inp | 2969.00 | NIST | |
| Tboil | 915.13 | K | Joback Calculated Property |
| Tc | 1120.39 | K | Joback Calculated Property |
| Tfus | 515.39 | K | Joback Calculated Property |
| Vc | 1.464 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1268.45; 1376.01] | J/mol×K | [915.13; 1120.39] |
|
| Cp,gas | 1268.45 | J/mol×K | 915.13 | Joback Calculated Property |
| Cp,gas | 1289.25 | J/mol×K | 949.34 | Joback Calculated Property |
| Cp,gas | 1308.79 | J/mol×K | 983.55 | Joback Calculated Property |
| Cp,gas | 1327.16 | J/mol×K | 1017.76 | Joback Calculated Property |
| Cp,gas | 1344.43 | J/mol×K | 1051.97 | Joback Calculated Property |
| Cp,gas | 1360.69 | J/mol×K | 1086.18 | Joback Calculated Property |
| Cp,gas | 1376.01 | J/mol×K | 1120.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-dioctyl-4-butyl-.
Sources
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