- InChI
- InChI=1S/C20H21ClO4/c1-14(2)6-5-11-24-19(22)15-7-3-8-16(12-15)20(23)25-18-10-4-9-17(21)13-18/h3-4,7-10,12-14H,5-6,11H2,1-2H3
- InChI Key
- RMJBZOJHCKOGOE-UHFFFAOYSA-N
- Formula
- C20H21ClO4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)Oc2c
ccc(Cl)c2)c1 - Molecular Weight1
- 360.83
- 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° | -159.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.30 | kJ/mol | Joback Calculated Property |
| log10WS | -6.34 | Crippen Calculated Property | |
| logPoct/wat | 5.152 | Crippen Calculated Property | |
| McVol | 272.260 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Inp | [2816.00; 2816.00] |
|
|
| Inp | 2816.00 | NIST | |
| Inp | 2816.00 | NIST | |
| Tboil | 909.89 | K | Joback Calculated Property |
| Tc | 1140.67 | K | Joback Calculated Property |
| Tfus | 552.28 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [803.93; 861.68] | J/mol×K | [909.89; 1140.67] |
|
| Cp,gas | 803.93 | J/mol×K | 909.89 | Joback Calculated Property |
| Cp,gas | 816.74 | J/mol×K | 948.35 | Joback Calculated Property |
| Cp,gas | 828.22 | J/mol×K | 986.82 | Joback Calculated Property |
| Cp,gas | 838.42 | J/mol×K | 1025.28 | Joback Calculated Property |
| Cp,gas | 847.38 | J/mol×K | 1063.74 | Joback Calculated Property |
| Cp,gas | 855.12 | J/mol×K | 1102.21 | Joback Calculated Property |
| Cp,gas | 861.68 | J/mol×K | 1140.67 | Joback Calculated Property |
| η | [0.0000452; 0.0004114] | Pa×s | [552.28; 909.89] |
|
| η | 0.0004114 | Pa×s | 552.28 | Joback Calculated Property |
| η | 0.0002380 | Pa×s | 611.88 | Joback Calculated Property |
| η | 0.0001517 | Pa×s | 671.48 | Joback Calculated Property |
| η | 0.0001041 | Pa×s | 731.09 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 790.69 | Joback Calculated Property |
| η | 0.0000574 | Pa×s | 850.29 | Joback Calculated Property |
| η | 0.0000452 | Pa×s | 909.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-chlorophenyl isohexyl ester.
Sources
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