- InChI
- InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-31-27(30)22-18-21-26(29)28(2)24-25-19-15-14-16-20-25/h14-16,19-20H,3-13,17-18,21-24H2,1-2H3
- InChI Key
- DTVLWHGGDIICTD-UHFFFAOYSA-N
- Formula
- C27H45NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCC(=O)N(
C)Cc1ccccc1 - Molecular Weight1
- 431.65
- 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° | 36.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -653.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.92 | kJ/mol | Joback Calculated Property |
| log10WS | -7.93 | Crippen Calculated Property | |
| logPoct/wat | 7.060 | Crippen Calculated Property | |
| McVol | 386.520 | ml/mol | McGowan Calculated Property |
| Pc | 879.48 | kPa | Joback Calculated Property |
| Inp | 3380.00 | NIST | |
| Tboil | 986.44 | K | Joback Calculated Property |
| Tc | 1209.20 | K | Joback Calculated Property |
| Tfus | 575.03 | K | Joback Calculated Property |
| Vc | 1.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1321.25; 1415.01] | J/mol×K | [986.44; 1209.20] | 
|
| Cp,gas | 1321.25 | J/mol×K | 986.44 | Joback Calculated Property |
| Cp,gas | 1340.15 | J/mol×K | 1023.57 | Joback Calculated Property |
| Cp,gas | 1357.61 | J/mol×K | 1060.69 | Joback Calculated Property |
| Cp,gas | 1373.74 | J/mol×K | 1097.82 | Joback Calculated Property |
| Cp,gas | 1388.62 | J/mol×K | 1134.94 | Joback Calculated Property |
| Cp,gas | 1402.34 | J/mol×K | 1172.07 | Joback Calculated Property |
| Cp,gas | 1415.01 | J/mol×K | 1209.20 | Joback Calculated Property |
Similar Compounds
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Sources
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