- InChI
- InChI=1S/C21H29ClO4/c1-2-3-4-7-13-25-20(23)16-10-8-11-17(14-16)21(24)26-15-18-9-5-6-12-19(18)22/h8,10-11,14,18-19H,2-7,9,12-13,15H2,1H3
- InChI Key
- DFGLBZXEJUFHPG-UHFFFAOYSA-N
- Formula
- C21H29ClO4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCC2CC
CCC2Cl)c1 - Molecular Weight1
- 380.91
- 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° | -234.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -723.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.09 | kJ/mol | Joback Calculated Property |
| log10WS | -6.48 | Crippen Calculated Property | |
| logPoct/wat | 5.378 | Crippen Calculated Property | |
| McVol | 299.250 | ml/mol | McGowan Calculated Property |
| Pc | 1380.93 | kPa | Joback Calculated Property |
| Inp | [2981.00; 2981.00] |
|
|
| Inp | 2981.00 | NIST | |
| Inp | 2981.00 | NIST | |
| Tboil | 916.43 | K | Joback Calculated Property |
| Tc | 1138.56 | K | Joback Calculated Property |
| Tfus | 542.75 | K | Joback Calculated Property |
| Vc | 1.133 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.16; 1033.86] | J/mol×K | [916.43; 1138.56] |
|
| Cp,gas | 963.16 | J/mol×K | 916.43 | Joback Calculated Property |
| Cp,gas | 978.80 | J/mol×K | 953.45 | Joback Calculated Property |
| Cp,gas | 992.85 | J/mol×K | 990.47 | Joback Calculated Property |
| Cp,gas | 1005.35 | J/mol×K | 1027.49 | Joback Calculated Property |
| Cp,gas | 1016.33 | J/mol×K | 1064.52 | Joback Calculated Property |
| Cp,gas | 1025.83 | J/mol×K | 1101.54 | Joback Calculated Property |
| Cp,gas | 1033.86 | J/mol×K | 1138.56 | Joback Calculated Property |
| η | [0.0000555; 0.0005505] | Pa×s | [542.75; 916.43] |
|
| η | 0.0005505 | Pa×s | 542.75 | Joback Calculated Property |
| η | 0.0003084 | Pa×s | 605.03 | Joback Calculated Property |
| η | 0.0001925 | Pa×s | 667.31 | Joback Calculated Property |
| η | 0.0001303 | Pa×s | 729.59 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 791.87 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 854.15 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 916.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, (2-chlorocyclohexyl)methyl hexyl ester.
Sources
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