- InChI
- InChI=1S/C22H22Cl2O4/c1-13-11-15(7-9-19(13)23)27-21(25)17-5-3-4-6-18(17)22(26)28-16-8-10-20(24)14(2)12-16/h7-12,17-18H,3-6H2,1-2H3
- InChI Key
- FBPJTZJTIUOXOI-UHFFFAOYSA-N
- Formula
- C22H22Cl2O4
- SMILES
-
Cc1cc(OC(=O)C2CCCCC2C(=O)Oc2cc
c(Cl)c(C)c2)ccc1Cl - Molecular Weight1
- 421.31
- 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° | -154.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.97 | kJ/mol | Joback Calculated Property |
| log10WS | -7.16 | Crippen Calculated Property | |
| logPoct/wat | 5.928 | Crippen Calculated Property | |
| McVol | 301.820 | ml/mol | McGowan Calculated Property |
| Pc | 1552.45 | kPa | Joback Calculated Property |
| Inp | [3235.00; 3235.00] |
|
|
| Inp | 3235.00 | NIST | |
| Inp | 3235.00 | NIST | |
| Tboil | 1018.36 | K | Joback Calculated Property |
| Tc | 1270.80 | K | Joback Calculated Property |
| Tfus | 647.92 | K | Joback Calculated Property |
| Vc | 1.129 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [933.71; 969.90] | J/mol×K | [1018.36; 1270.80] |
|
| Cp,gas | 933.71 | J/mol×K | 1018.36 | Joback Calculated Property |
| Cp,gas | 944.41 | J/mol×K | 1060.43 | Joback Calculated Property |
| Cp,gas | 953.20 | J/mol×K | 1102.51 | Joback Calculated Property |
| Cp,gas | 960.11 | J/mol×K | 1144.58 | Joback Calculated Property |
| Cp,gas | 965.17 | J/mol×K | 1186.65 | Joback Calculated Property |
| Cp,gas | 968.43 | J/mol×K | 1228.72 | Joback Calculated Property |
| Cp,gas | 969.90 | J/mol×K | 1270.80 | Joback Calculated Property |
| η | [0.0000461; 0.0002778] | Pa×s | [647.92; 1018.36] |
|
| η | 0.0002778 | Pa×s | 647.92 | Joback Calculated Property |
| η | 0.0001808 | Pa×s | 709.66 | Joback Calculated Property |
| η | 0.0001260 | Pa×s | 771.40 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 833.14 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 894.88 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 956.62 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 1018.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(4-chloro-3-methylphenyl) ester.
Sources
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