- InChI
- InChI=1S/C21H23ClO4/c1-3-4-5-6-12-25-20(23)16-8-7-9-17(14-16)21(24)26-18-10-11-19(22)15(2)13-18/h7-11,13-14H,3-6,12H2,1-2H3
- InChI Key
- RCPYFJCPLQOTIO-UHFFFAOYSA-N
- Formula
- C21H23ClO4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
(Cl)c(C)c2)c1 - Molecular Weight1
- 374.86
- 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° | -157.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.58 | kJ/mol | Joback Calculated Property |
| log10WS | -7.05 | Crippen Calculated Property | |
| logPoct/wat | 5.605 | Crippen Calculated Property | |
| McVol | 286.350 | ml/mol | McGowan Calculated Property |
| Pc | 1523.50 | kPa | Joback Calculated Property |
| Inp | [3014.00; 3014.00] |
|
|
| Inp | 3014.00 | NIST | |
| Inp | 3014.00 | NIST | |
| Tboil | 938.19 | K | Joback Calculated Property |
| Tc | 1166.13 | K | Joback Calculated Property |
| Tfus | 591.07 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [859.94; 916.71] | J/mol×K | [938.19; 1166.13] |
|
| Cp,gas | 859.94 | J/mol×K | 938.19 | Joback Calculated Property |
| Cp,gas | 872.61 | J/mol×K | 976.18 | Joback Calculated Property |
| Cp,gas | 883.95 | J/mol×K | 1014.17 | Joback Calculated Property |
| Cp,gas | 894.00 | J/mol×K | 1052.16 | Joback Calculated Property |
| Cp,gas | 902.79 | J/mol×K | 1090.15 | Joback Calculated Property |
| Cp,gas | 910.35 | J/mol×K | 1128.14 | Joback Calculated Property |
| Cp,gas | 916.71 | J/mol×K | 1166.13 | Joback Calculated Property |
| η | [0.0000438; 0.0003069] | Pa×s | [591.07; 938.19] |
|
| η | 0.0003069 | Pa×s | 591.07 | Joback Calculated Property |
| η | 0.0001920 | Pa×s | 648.92 | Joback Calculated Property |
| η | 0.0001297 | Pa×s | 706.78 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 764.63 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 822.48 | Joback Calculated Property |
| η | 0.0000545 | Pa×s | 880.34 | Joback Calculated Property |
| η | 0.0000438 | Pa×s | 938.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chloro-3-methylphenyl hexyl ester.
Sources
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