- InChI
- InChI=1S/C17H14Cl2O4/c1-2-9-22-16(20)11-5-3-6-12(10-11)17(21)23-14-8-4-7-13(18)15(14)19/h3-8,10H,2,9H2,1H3
- InChI Key
- TTYJSHJYTFMFAZ-UHFFFAOYSA-N
- Formula
- C17H14Cl2O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2cccc(C
l)c2Cl)c1 - Molecular Weight1
- 353.20
- 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° | -203.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -476.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.06 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 4.779 | Crippen Calculated Property | |
| McVol | 242.230 | ml/mol | McGowan Calculated Property |
| Pc | 2038.23 | kPa | Joback Calculated Property |
| Inp | [2732.00; 2732.00] |
|
|
| Inp | 2732.00 | NIST | |
| Inp | 2732.00 | NIST | |
| Tboil | 884.10 | K | Joback Calculated Property |
| Tc | 1122.62 | K | Joback Calculated Property |
| Tfus | 575.91 | K | Joback Calculated Property |
| Vc | 0.917 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.59; 700.78] | J/mol×K | [884.10; 1122.62] |
|
| Cp,gas | 653.59 | J/mol×K | 884.10 | Joback Calculated Property |
| Cp,gas | 664.42 | J/mol×K | 923.85 | Joback Calculated Property |
| Cp,gas | 674.03 | J/mol×K | 963.61 | Joback Calculated Property |
| Cp,gas | 682.45 | J/mol×K | 1003.36 | Joback Calculated Property |
| Cp,gas | 689.70 | J/mol×K | 1043.11 | Joback Calculated Property |
| Cp,gas | 695.80 | J/mol×K | 1082.87 | Joback Calculated Property |
| Cp,gas | 700.78 | J/mol×K | 1122.62 | Joback Calculated Property |
| η | [0.0000663; 0.0003841] | Pa×s | [575.91; 884.10] |
|
| η | 0.0003841 | Pa×s | 575.91 | Joback Calculated Property |
| η | 0.0002542 | Pa×s | 627.28 | Joback Calculated Property |
| η | 0.0001791 | Pa×s | 678.64 | Joback Calculated Property |
| η | 0.0001325 | Pa×s | 730.00 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 781.37 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 832.73 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 884.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,3-dichlorophenyl propyl ester.
Sources
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