- InChI
- InChI=1S/C22H25ClO4/c1-2-3-4-5-6-9-15-26-21(24)17-11-10-12-18(16-17)22(25)27-20-14-8-7-13-19(20)23/h7-8,10-14,16H,2-6,9,15H2,1H3
- InChI Key
- VWQVNPPUFSVEMI-UHFFFAOYSA-N
- Formula
- C22H25ClO4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
cccc2Cl)c1 - Molecular Weight1
- 388.88
- 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° | -139.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.14 | kJ/mol | Joback Calculated Property |
| log10WS | -7.42 | Crippen Calculated Property | |
| logPoct/wat | 6.077 | Crippen Calculated Property | |
| McVol | 300.440 | ml/mol | McGowan Calculated Property |
| Pc | 1431.55 | kPa | Joback Calculated Property |
| Inp | [3057.00; 3057.00] |
|
|
| Inp | 3057.00 | NIST | |
| Inp | 3057.00 | NIST | |
| Tboil | 956.09 | K | Joback Calculated Property |
| Tc | 1183.10 | K | Joback Calculated Property |
| Tfus | 589.82 | K | Joback Calculated Property |
| Vc | 1.149 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [919.72; 977.69] | J/mol×K | [956.09; 1183.10] |
|
| Cp,gas | 919.72 | J/mol×K | 956.09 | Joback Calculated Property |
| Cp,gas | 932.57 | J/mol×K | 993.93 | Joback Calculated Property |
| Cp,gas | 944.09 | J/mol×K | 1031.76 | Joback Calculated Property |
| Cp,gas | 954.31 | J/mol×K | 1069.60 | Joback Calculated Property |
| Cp,gas | 963.29 | J/mol×K | 1107.43 | Joback Calculated Property |
| Cp,gas | 971.07 | J/mol×K | 1145.27 | Joback Calculated Property |
| Cp,gas | 977.69 | J/mol×K | 1183.10 | Joback Calculated Property |
| η | [0.0000371; 0.0003074] | Pa×s | [589.82; 956.09] |
|
| η | 0.0003074 | Pa×s | 589.82 | Joback Calculated Property |
| η | 0.0001832 | Pa×s | 650.87 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 711.91 | Joback Calculated Property |
| η | 0.0000832 | Pa×s | 772.95 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 834.00 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 895.04 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 956.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-chlorophenyl octyl ester.
Sources
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