- InChI
- InChI=1S/C27H47NO/c1-6-11-14-23(9-4)21-28(22-24(10-5)15-12-7-2)27(29)26-19-17-25(18-20-26)16-13-8-3/h17-20,23-24H,6-16,21-22H2,1-5H3
- InChI Key
- UZXKSCLIHROMHE-UHFFFAOYSA-N
- Formula
- C27H47NO
- SMILES
-
CCCCc1ccc(C(=O)N(CC(CC)CCCC)CC
(CC)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° | 256.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.65 | kJ/mol | Joback Calculated Property |
| log10WS | -8.63 | Crippen Calculated Property | |
| logPoct/wat | 7.904 | Crippen Calculated Property | |
| McVol | 379.080 | ml/mol | McGowan Calculated Property |
| Pc | 856.47 | kPa | Joback Calculated Property |
| Inp | 2707.00 | NIST | |
| Tboil | 914.25 | K | Joback Calculated Property |
| Tc | 1119.70 | K | Joback Calculated Property |
| Tfus | 485.39 | K | Joback Calculated Property |
| Vc | 1.452 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1269.24; 1376.18] | J/mol×K | [914.25; 1119.70] | 
|
| Cp,gas | 1269.24 | J/mol×K | 914.25 | Joback Calculated Property |
| Cp,gas | 1290.01 | J/mol×K | 948.49 | Joback Calculated Property |
| Cp,gas | 1309.48 | J/mol×K | 982.73 | Joback Calculated Property |
| Cp,gas | 1327.76 | J/mol×K | 1016.98 | Joback Calculated Property |
| Cp,gas | 1344.91 | J/mol×K | 1051.22 | Joback Calculated Property |
| Cp,gas | 1361.03 | J/mol×K | 1085.46 | Joback Calculated Property |
| Cp,gas | 1376.18 | J/mol×K | 1119.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-bis(2-ethylhexyl)-4-butyl-.
Sources
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