- InChI
- InChI=1S/C21H28Cl2O4/c1-2-3-4-5-8-14-26-20(24)15-10-6-7-11-16(15)21(25)27-18-13-9-12-17(22)19(18)23/h9,12-13,15-16H,2-8,10-11,14H2,1H3
- InChI Key
- SKLOCCULYRRWTP-UHFFFAOYSA-N
- Formula
- C21H28Cl2O4
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1c
ccc(Cl)c1Cl - Molecular Weight1
- 415.35
- 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° | -255.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.14 | kJ/mol | Joback Calculated Property |
| log10WS | -6.87 | Crippen Calculated Property | |
| logPoct/wat | 6.219 | Crippen Calculated Property | |
| McVol | 311.490 | ml/mol | McGowan Calculated Property |
| Pc | 1329.07 | kPa | Joback Calculated Property |
| Inp | [2895.00; 2895.00] |
|
|
| Inp | 2895.00 | NIST | |
| Inp | 2895.00 | NIST | |
| Tboil | 958.84 | K | Joback Calculated Property |
| Tc | 1186.32 | K | Joback Calculated Property |
| Tfus | 585.19 | K | Joback Calculated Property |
| Vc | 1.181 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [986.46; 1045.88] | J/mol×K | [958.84; 1186.32] |
|
| Cp,gas | 986.46 | J/mol×K | 958.84 | Joback Calculated Property |
| Cp,gas | 1000.33 | J/mol×K | 996.75 | Joback Calculated Property |
| Cp,gas | 1012.58 | J/mol×K | 1034.67 | Joback Calculated Property |
| Cp,gas | 1023.23 | J/mol×K | 1072.58 | Joback Calculated Property |
| Cp,gas | 1032.31 | J/mol×K | 1110.49 | Joback Calculated Property |
| Cp,gas | 1039.85 | J/mol×K | 1148.40 | Joback Calculated Property |
| Cp,gas | 1045.88 | J/mol×K | 1186.32 | Joback Calculated Property |
| η | [0.0000484; 0.0004012] | Pa×s | [585.19; 958.84] |
|
| η | 0.0004012 | Pa×s | 585.19 | Joback Calculated Property |
| η | 0.0002381 | Pa×s | 647.47 | Joback Calculated Property |
| η | 0.0001548 | Pa×s | 709.74 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 772.01 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 834.29 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 896.56 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 958.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl heptyl ester.
Sources
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