- InChI
- InChI=1S/C21H23ClO4/c1-2-3-4-5-6-14-25-20(23)16-8-7-9-17(15-16)21(24)26-19-12-10-18(22)11-13-19/h7-13,15H,2-6,14H2,1H3
- InChI Key
- UXYQQVNSYDFGDG-UHFFFAOYSA-N
- Formula
- C21H23ClO4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc
c(Cl)cc2)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° | -148.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.91 | kJ/mol | Joback Calculated Property |
| log10WS | -7.00 | Crippen Calculated Property | |
| logPoct/wat | 5.686 | Crippen Calculated Property | |
| McVol | 286.350 | ml/mol | McGowan Calculated Property |
| Pc | 1541.49 | kPa | Joback Calculated Property |
| Inp | [3009.00; 3009.00] |
|
|
| Inp | 3009.00 | NIST | |
| Inp | 3009.00 | NIST | |
| Tboil | 933.21 | K | Joback Calculated Property |
| Tc | 1160.36 | K | Joback Calculated Property |
| Tfus | 578.55 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.25; 919.18] | J/mol×K | [933.21; 1160.36] |
|
| Cp,gas | 861.25 | J/mol×K | 933.21 | Joback Calculated Property |
| Cp,gas | 874.03 | J/mol×K | 971.07 | Joback Calculated Property |
| Cp,gas | 885.51 | J/mol×K | 1008.93 | Joback Calculated Property |
| Cp,gas | 895.72 | J/mol×K | 1046.79 | Joback Calculated Property |
| Cp,gas | 904.71 | J/mol×K | 1084.65 | Joback Calculated Property |
| Cp,gas | 912.52 | J/mol×K | 1122.50 | Joback Calculated Property |
| Cp,gas | 919.18 | J/mol×K | 1160.36 | Joback Calculated Property |
| η | [0.0000429; 0.0003421] | Pa×s | [578.55; 933.21] |
|
| η | 0.0003421 | Pa×s | 578.55 | Joback Calculated Property |
| η | 0.0002062 | Pa×s | 637.66 | Joback Calculated Property |
| η | 0.0001354 | Pa×s | 696.77 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 755.88 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 814.99 | Joback Calculated Property |
| η | 0.0000540 | Pa×s | 874.10 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 933.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chlorophenyl heptyl ester.
Sources
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