- InChI
- InChI=1S/C27H43ClFNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-27(32)22(2)30-26(31)23-19-18-20-24(28)25(23)29/h18-20,22H,3-17,21H2,1-2H3,(H,30,31)
- InChI Key
- SJGGQYJKHJDRDW-UHFFFAOYSA-N
- Formula
- C27H43ClFNO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(
=O)c1cccc(Cl)c1F - Molecular Weight1
- 484.09
- 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° | -213.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -908.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.81 | kJ/mol | Joback Calculated Property |
| log10WS | -9.76 | Crippen Calculated Property | |
| logPoct/wat | 8.012 | Crippen Calculated Property | |
| McVol | 400.530 | ml/mol | McGowan Calculated Property |
| Pc | 834.83 | kPa | Joback Calculated Property |
| Inp | 3348.00 | NIST | |
| Tboil | 1070.39 | K | Joback Calculated Property |
| Tc | 1319.77 | K | Joback Calculated Property |
| Tfus | 635.77 | K | Joback Calculated Property |
| Vc | 1.565 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1369.47; 1446.49] | J/mol×K | [1070.39; 1319.77] | 
|
| Cp,gas | 1369.47 | J/mol×K | 1070.39 | Joback Calculated Property |
| Cp,gas | 1386.19 | J/mol×K | 1111.95 | Joback Calculated Property |
| Cp,gas | 1401.23 | J/mol×K | 1153.52 | Joback Calculated Property |
| Cp,gas | 1414.68 | J/mol×K | 1195.08 | Joback Calculated Property |
| Cp,gas | 1426.63 | J/mol×K | 1236.64 | Joback Calculated Property |
| Cp,gas | 1437.20 | J/mol×K | 1278.20 | Joback Calculated Property |
| Cp,gas | 1446.49 | J/mol×K | 1319.77 | Joback Calculated Property |
Similar Compounds
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Sources
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