- InChI
- InChI=1S/C19H26O4/c1-14(2)12-22-18(20)16-9-6-10-17(11-16)19(21)23-13-15-7-4-3-5-8-15/h6,9-11,14-15H,3-5,7-8,12-13H2,1-2H3
- InChI Key
- VPQCZLNBAOBINH-UHFFFAOYSA-N
- Formula
- C19H26O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OCC2CC
CCC2)c1 - Molecular Weight1
- 318.41
- 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° | -233.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.18 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 4.237 | Crippen Calculated Property | |
| McVol | 258.830 | ml/mol | McGowan Calculated Property |
| Pc | 1706.12 | kPa | Joback Calculated Property |
| Inp | [2490.00; 2490.00] |
|
|
| Inp | 2490.00 | NIST | |
| Inp | 2490.00 | NIST | |
| Tboil | 837.47 | K | Joback Calculated Property |
| Tc | 1061.50 | K | Joback Calculated Property |
| Tfus | 479.53 | K | Joback Calculated Property |
| Vc | 0.967 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [814.54; 895.76] | J/mol×K | [837.47; 1061.50] |
|
| Cp,gas | 814.54 | J/mol×K | 837.47 | Joback Calculated Property |
| Cp,gas | 831.77 | J/mol×K | 874.81 | Joback Calculated Property |
| Cp,gas | 847.48 | J/mol×K | 912.15 | Joback Calculated Property |
| Cp,gas | 861.71 | J/mol×K | 949.48 | Joback Calculated Property |
| Cp,gas | 874.48 | J/mol×K | 986.82 | Joback Calculated Property |
| Cp,gas | 885.82 | J/mol×K | 1024.16 | Joback Calculated Property |
| Cp,gas | 895.76 | J/mol×K | 1061.50 | Joback Calculated Property |
| η | [0.0000598; 0.0008523] | Pa×s | [479.53; 837.47] |
|
| η | 0.0008523 | Pa×s | 479.53 | Joback Calculated Property |
| η | 0.0004285 | Pa×s | 539.19 | Joback Calculated Property |
| η | 0.0002471 | Pa×s | 598.84 | Joback Calculated Property |
| η | 0.0001574 | Pa×s | 658.50 | Joback Calculated Property |
| η | 0.0001081 | Pa×s | 718.16 | Joback Calculated Property |
| η | 0.0000786 | Pa×s | 777.81 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 837.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclohexylmethyl isobutyl ester.
Sources
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