- InChI
- InChI=1S/C28H46ClNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-28(32)24(2)30-27(31)25-21-18-19-22-26(25)29/h18-19,21-22,24H,3-17,20,23H2,1-2H3,(H,30,31)
- InChI Key
- GEXMJYGYKRVKTA-UHFFFAOYSA-N
- Formula
- C28H46ClNO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC
(=O)c1ccccc1Cl - Molecular Weight1
- 480.12
- 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° | -0.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.19 | kJ/mol | Joback Calculated Property |
| log10WS | -9.85 | Crippen Calculated Property | |
| logPoct/wat | 8.263 | Crippen Calculated Property | |
| McVol | 412.850 | ml/mol | McGowan Calculated Property |
| Pc | 817.73 | kPa | Joback Calculated Property |
| Inp | 3595.00 | NIST | |
| Tboil | 1089.02 | K | Joback Calculated Property |
| Tc | 1343.17 | K | Joback Calculated Property |
| Tfus | 633.93 | K | Joback Calculated Property |
| Vc | 1.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1427.01; 1507.67] | J/mol×K | [1089.02; 1343.17] | 
|
| Cp,gas | 1427.01 | J/mol×K | 1089.02 | Joback Calculated Property |
| Cp,gas | 1444.31 | J/mol×K | 1131.38 | Joback Calculated Property |
| Cp,gas | 1459.90 | J/mol×K | 1173.74 | Joback Calculated Property |
| Cp,gas | 1473.91 | J/mol×K | 1216.09 | Joback Calculated Property |
| Cp,gas | 1486.46 | J/mol×K | 1258.45 | Joback Calculated Property |
| Cp,gas | 1497.67 | J/mol×K | 1300.81 | Joback Calculated Property |
| Cp,gas | 1507.67 | J/mol×K | 1343.17 | Joback Calculated Property |
Similar Compounds
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Sources
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