- InChI
- InChI=1S/C20H27ClO4/c1-2-3-4-7-13-24-19(22)17-11-5-6-12-18(17)20(23)25-16-10-8-9-15(21)14-16/h8-10,14,17-18H,2-7,11-13H2,1H3
- InChI Key
- XZHVCOYELAABKO-UHFFFAOYSA-N
- Formula
- C20H27ClO4
- SMILES
-
CCCCCCOC(=O)C1CCCCC1C(=O)Oc1cc
cc(Cl)c1 - Molecular Weight1
- 366.88
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -242.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -702.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.77 | Crippen Calculated Property | |
| logPoct/wat | 5.175 | Crippen Calculated Property | |
| McVol | 285.160 | ml/mol | McGowan Calculated Property |
| Pc | 1485.00 | kPa | Joback Calculated Property |
| Inp | [2611.00; 2611.00] |
|
|
| Inp | 2611.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Tboil | 893.55 | K | Joback Calculated Property |
| Tc | 1116.35 | K | Joback Calculated Property |
| Tfus | 531.48 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [903.66; 975.31] | J/mol×K | [893.55; 1116.35] |
|
| Cp,gas | 903.66 | J/mol×K | 893.55 | Joback Calculated Property |
| Cp,gas | 919.39 | J/mol×K | 930.68 | Joback Calculated Property |
| Cp,gas | 933.57 | J/mol×K | 967.82 | Joback Calculated Property |
| Cp,gas | 946.22 | J/mol×K | 1004.95 | Joback Calculated Property |
| Cp,gas | 957.38 | J/mol×K | 1042.08 | Joback Calculated Property |
| Cp,gas | 967.07 | J/mol×K | 1079.22 | Joback Calculated Property |
| Cp,gas | 975.31 | J/mol×K | 1116.35 | Joback Calculated Property |
| η | [0.0000639; 0.0006106] | Pa×s | [531.48; 893.55] |
|
| η | 0.0006106 | Pa×s | 531.48 | Joback Calculated Property |
| η | 0.0003460 | Pa×s | 591.83 | Joback Calculated Property |
| η | 0.0002178 | Pa×s | 652.17 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 712.51 | Joback Calculated Property |
| η | 0.0001072 | Pa×s | 772.86 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 833.20 | Joback Calculated Property |
| η | 0.0000639 | Pa×s | 893.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl hexyl ester.
Sources
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