- InChI
- InChI=1S/C21H23ClO4/c1-14(2)6-5-11-25-20(23)16-7-4-8-17(13-16)21(24)26-18-9-10-19(22)15(3)12-18/h4,7-10,12-14H,5-6,11H2,1-3H3
- InChI Key
- NJACJGXKEZMQIY-UHFFFAOYSA-N
- Formula
- C21H23ClO4
- SMILES
-
Cc1cc(OC(=O)c2cccc(C(=O)OCCCC(
C)C)c2)ccc1Cl - 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° | -160.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.19 | kJ/mol | Joback Calculated Property |
| log10WS | -6.81 | Crippen Calculated Property | |
| logPoct/wat | 5.461 | Crippen Calculated Property | |
| McVol | 286.350 | ml/mol | McGowan Calculated Property |
| Pc | 1533.06 | kPa | Joback Calculated Property |
| Inp | [2557.00; 2557.00] |
|
|
| Inp | 2557.00 | NIST | |
| Inp | 2557.00 | NIST | |
| Tboil | 937.75 | K | Joback Calculated Property |
| Tc | 1168.01 | K | Joback Calculated Property |
| Tfus | 576.07 | K | Joback Calculated Property |
| Vc | 1.087 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.43; 917.06] | J/mol×K | [937.75; 1168.01] |
|
| Cp,gas | 860.43 | J/mol×K | 937.75 | Joback Calculated Property |
| Cp,gas | 873.18 | J/mol×K | 976.13 | Joback Calculated Property |
| Cp,gas | 884.55 | J/mol×K | 1014.50 | Joback Calculated Property |
| Cp,gas | 894.60 | J/mol×K | 1052.88 | Joback Calculated Property |
| Cp,gas | 903.35 | J/mol×K | 1091.26 | Joback Calculated Property |
| Cp,gas | 910.82 | J/mol×K | 1129.64 | Joback Calculated Property |
| Cp,gas | 917.06 | J/mol×K | 1168.01 | Joback Calculated Property |
| η | [0.0000400; 0.0003287] | Pa×s | [576.07; 937.75] |
|
| η | 0.0003287 | Pa×s | 576.07 | Joback Calculated Property |
| η | 0.0001959 | Pa×s | 636.35 | Joback Calculated Property |
| η | 0.0001277 | Pa×s | 696.63 | Joback Calculated Property |
| η | 0.0000891 | Pa×s | 756.91 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 817.19 | Joback Calculated Property |
| η | 0.0000504 | Pa×s | 877.47 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 937.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chloro-3-methylphenyl isohexyl ester.
Sources
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