- InChI
- InChI=1S/C20H20Cl2O4/c1-2-3-4-5-11-25-19(23)14-7-6-8-15(12-14)20(24)26-18-13-16(21)9-10-17(18)22/h6-10,12-13H,2-5,11H2,1H3
- InChI Key
- ZRBGPBQTLYIPDA-UHFFFAOYSA-N
- Formula
- C20H20Cl2O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2cc(
Cl)ccc2Cl)c1 - Molecular Weight1
- 395.28
- 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° | -178.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.73 | kJ/mol | Joback Calculated Property |
| log10WS | -7.26 | Crippen Calculated Property | |
| logPoct/wat | 5.950 | Crippen Calculated Property | |
| McVol | 284.500 | ml/mol | McGowan Calculated Property |
| Pc | 1596.17 | kPa | Joback Calculated Property |
| Inp | [3008.00; 3008.00] |
|
|
| Inp | 3008.00 | NIST | |
| Inp | 3008.00 | NIST | |
| Tboil | 952.74 | K | Joback Calculated Property |
| Tc | 1185.41 | K | Joback Calculated Property |
| Tfus | 609.72 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.06; 871.66] | J/mol×K | [952.74; 1185.41] |
|
| Cp,gas | 823.06 | J/mol×K | 952.74 | Joback Calculated Property |
| Cp,gas | 834.27 | J/mol×K | 991.52 | Joback Calculated Property |
| Cp,gas | 844.20 | J/mol×K | 1030.30 | Joback Calculated Property |
| Cp,gas | 852.87 | J/mol×K | 1069.08 | Joback Calculated Property |
| Cp,gas | 860.32 | J/mol×K | 1107.86 | Joback Calculated Property |
| Cp,gas | 866.57 | J/mol×K | 1146.64 | Joback Calculated Property |
| Cp,gas | 871.66 | J/mol×K | 1185.41 | Joback Calculated Property |
| η | [0.0000433; 0.0002844] | Pa×s | [609.72; 952.74] |
|
| η | 0.0002844 | Pa×s | 609.72 | Joback Calculated Property |
| η | 0.0001817 | Pa×s | 666.89 | Joback Calculated Property |
| η | 0.0001246 | Pa×s | 724.06 | Joback Calculated Property |
| η | 0.0000903 | Pa×s | 781.23 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 838.40 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 895.57 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 952.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,5-dichlorophenyl hexyl ester.
Sources
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