- InChI
- InChI=1S/C21H31ClO4/c1-2-3-4-6-9-15-25-20(23)18-12-11-13-19(17-18)21(24)26-16-10-7-5-8-14-22/h11-13,17H,2-10,14-16H2,1H3
- InChI Key
- DHRBOFIVNIKSBM-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OCCCC
CCCl)c1 - Molecular Weight1
- 382.92
- 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° | -251.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -757.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.97 | kJ/mol | Joback Calculated Property |
| log10WS | -6.71 | Crippen Calculated Property | |
| logPoct/wat | 5.770 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Pc | 1219.99 | kPa | Joback Calculated Property |
| Inp | [2944.00; 2944.00] |
|
|
| Inp | 2944.00 | NIST | |
| Inp | 2944.00 | NIST | |
| Tboil | 901.55 | K | Joback Calculated Property |
| Tc | 1108.65 | K | Joback Calculated Property |
| Tfus | 539.61 | K | Joback Calculated Property |
| Vc | 1.200 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [964.34; 1037.97] | J/mol×K | [901.55; 1108.65] |
|
| Cp,gas | 964.34 | J/mol×K | 901.55 | Joback Calculated Property |
| Cp,gas | 979.52 | J/mol×K | 936.07 | Joback Calculated Property |
| Cp,gas | 993.50 | J/mol×K | 970.58 | Joback Calculated Property |
| Cp,gas | 1006.30 | J/mol×K | 1005.10 | Joback Calculated Property |
| Cp,gas | 1017.96 | J/mol×K | 1039.62 | Joback Calculated Property |
| Cp,gas | 1028.51 | J/mol×K | 1074.14 | Joback Calculated Property |
| Cp,gas | 1037.97 | J/mol×K | 1108.65 | Joback Calculated Property |
| η | [0.0000408; 0.0004342] | Pa×s | [539.61; 901.55] |
|
| η | 0.0004342 | Pa×s | 539.61 | Joback Calculated Property |
| η | 0.0002402 | Pa×s | 599.93 | Joback Calculated Property |
| η | 0.0001480 | Pa×s | 660.26 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 720.58 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 780.90 | Joback Calculated Property |
| η | 0.0000526 | Pa×s | 841.23 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 901.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 6-chlorohexyl heptyl ester.
Sources
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