- InChI
- InChI=1S/C20H21ClO4/c1-2-3-4-5-12-24-19(22)15-8-6-9-16(13-15)20(23)25-18-11-7-10-17(21)14-18/h6-11,13-14H,2-5,12H2,1H3
- InChI Key
- XXKLODQVGMZVSM-UHFFFAOYSA-N
- Formula
- C20H21ClO4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
c(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° | -156.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.69 | kJ/mol | Joback Calculated Property |
| log10WS | -6.58 | Crippen Calculated Property | |
| logPoct/wat | 5.296 | Crippen Calculated Property | |
| McVol | 272.260 | ml/mol | McGowan Calculated Property |
| Pc | 1664.61 | kPa | Joback Calculated Property |
| Inp | [2866.00; 2866.00] |
|
|
| Inp | 2866.00 | NIST | |
| Inp | 2866.00 | NIST | |
| Tboil | 910.33 | K | Joback Calculated Property |
| Tc | 1138.42 | K | Joback Calculated Property |
| Tfus | 567.28 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [803.40; 861.16] | J/mol×K | [910.33; 1138.42] |
|
| Cp,gas | 803.40 | J/mol×K | 910.33 | Joback Calculated Property |
| Cp,gas | 816.11 | J/mol×K | 948.34 | Joback Calculated Property |
| Cp,gas | 827.53 | J/mol×K | 986.36 | Joback Calculated Property |
| Cp,gas | 837.71 | J/mol×K | 1024.37 | Joback Calculated Property |
| Cp,gas | 846.69 | J/mol×K | 1062.39 | Joback Calculated Property |
| Cp,gas | 854.49 | J/mol×K | 1100.40 | Joback Calculated Property |
| Cp,gas | 861.16 | J/mol×K | 1138.42 | Joback Calculated Property |
| η | [0.0000495; 0.0003793] | Pa×s | [567.28; 910.33] |
|
| η | 0.0003793 | Pa×s | 567.28 | Joback Calculated Property |
| η | 0.0002313 | Pa×s | 624.46 | Joback Calculated Property |
| η | 0.0001532 | Pa×s | 681.63 | Joback Calculated Property |
| η | 0.0001082 | Pa×s | 738.81 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 795.98 | Joback Calculated Property |
| η | 0.0000620 | Pa×s | 853.15 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 910.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-chlorophenyl hexyl ester.
Sources
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