- InChI
- InChI=1S/C22H25ClO4/c1-3-4-5-6-7-13-26-21(24)17-9-8-10-18(15-17)22(25)27-20-14-16(2)11-12-19(20)23/h8-12,14-15H,3-7,13H2,1-2H3
- InChI Key
- AFOLSICZMGJBHO-UHFFFAOYSA-N
- Formula
- C22H25ClO4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc
(C)ccc2Cl)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° | -149.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.80 | kJ/mol | Joback Calculated Property |
| log10WS | -7.47 | Crippen Calculated Property | |
| logPoct/wat | 5.995 | Crippen Calculated Property | |
| McVol | 300.440 | ml/mol | McGowan Calculated Property |
| Pc | 1415.44 | kPa | Joback Calculated Property |
| Inp | [2951.00; 2951.00] |
|
|
| Inp | 2951.00 | NIST | |
| Inp | 2951.00 | NIST | |
| Tboil | 961.07 | K | Joback Calculated Property |
| Tc | 1188.91 | K | Joback Calculated Property |
| Tfus | 602.34 | K | Joback Calculated Property |
| Vc | 1.149 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [918.44; 975.10] | J/mol×K | [961.07; 1188.91] |
|
| Cp,gas | 918.44 | J/mol×K | 961.07 | Joback Calculated Property |
| Cp,gas | 931.16 | J/mol×K | 999.04 | Joback Calculated Property |
| Cp,gas | 942.53 | J/mol×K | 1037.02 | Joback Calculated Property |
| Cp,gas | 952.57 | J/mol×K | 1074.99 | Joback Calculated Property |
| Cp,gas | 961.32 | J/mol×K | 1112.96 | Joback Calculated Property |
| Cp,gas | 968.82 | J/mol×K | 1150.94 | Joback Calculated Property |
| Cp,gas | 975.10 | J/mol×K | 1188.91 | Joback Calculated Property |
| η | [0.0000380; 0.0002765] | Pa×s | [602.34; 961.07] |
|
| η | 0.0002765 | Pa×s | 602.34 | Joback Calculated Property |
| η | 0.0001711 | Pa×s | 662.13 | Joback Calculated Property |
| η | 0.0001146 | Pa×s | 721.92 | Joback Calculated Property |
| η | 0.0000816 | Pa×s | 781.71 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 841.49 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 901.28 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 961.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-chloro-5-methylphenyl heptyl ester.
Sources
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