- InChI
- InChI=1S/C21H22Cl2O4/c1-2-3-4-5-6-12-26-20(24)15-8-7-9-16(13-15)21(25)27-19-14-17(22)10-11-18(19)23/h7-11,13-14H,2-6,12H2,1H3
- InChI Key
- DHQFMYIBOMXKFN-UHFFFAOYSA-N
- Formula
- C21H22Cl2O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc
(Cl)ccc2Cl)c1 - Molecular Weight1
- 409.30
- 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° | -169.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.96 | kJ/mol | Joback Calculated Property |
| log10WS | -7.68 | Crippen Calculated Property | |
| logPoct/wat | 6.340 | Crippen Calculated Property | |
| McVol | 298.590 | ml/mol | McGowan Calculated Property |
| Pc | 1480.43 | kPa | Joback Calculated Property |
| Inp | [3114.00; 3114.00] |
|
|
| Inp | 3114.00 | NIST | |
| Inp | 3114.00 | NIST | |
| Tboil | 975.62 | K | Joback Calculated Property |
| Tc | 1207.92 | K | Joback Calculated Property |
| Tfus | 620.99 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [880.88; 929.54] | J/mol×K | [975.62; 1207.92] |
|
| Cp,gas | 880.88 | J/mol×K | 975.62 | Joback Calculated Property |
| Cp,gas | 892.17 | J/mol×K | 1014.34 | Joback Calculated Property |
| Cp,gas | 902.14 | J/mol×K | 1053.05 | Joback Calculated Property |
| Cp,gas | 910.83 | J/mol×K | 1091.77 | Joback Calculated Property |
| Cp,gas | 918.26 | J/mol×K | 1130.49 | Joback Calculated Property |
| Cp,gas | 924.49 | J/mol×K | 1169.20 | Joback Calculated Property |
| Cp,gas | 929.54 | J/mol×K | 1207.92 | Joback Calculated Property |
| η | [0.0000375; 0.0002554] | Pa×s | [620.99; 975.62] |
|
| η | 0.0002554 | Pa×s | 620.99 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 680.10 | Joback Calculated Property |
| η | 0.0001098 | Pa×s | 739.20 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 798.30 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 857.41 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 916.51 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 975.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,5-dichlorophenyl heptyl ester.
Sources
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