- InChI
- InChI=1S/C21H30O4/c1-4-5-6-12-24-20(22)17-8-7-9-18(14-17)21(23)25-19-11-10-15(2)16(3)13-19/h7-9,14-16,19H,4-6,10-13H2,1-3H3
- InChI Key
- FIUZJZHTCWQPHA-UHFFFAOYSA-N
- Formula
- C21H30O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OC2CCC(
C)C(C)C2)c1 - Molecular Weight1
- 346.46
- 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° | -230.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.40 | kJ/mol | Joback Calculated Property |
| log10WS | -6.08 | Crippen Calculated Property | |
| logPoct/wat | 5.015 | Crippen Calculated Property | |
| McVol | 287.010 | ml/mol | McGowan Calculated Property |
| Pc | 1385.05 | kPa | Joback Calculated Property |
| Inp | [2681.00; 2681.00] |
|
|
| Inp | 2681.00 | NIST | |
| Inp | 2681.00 | NIST | |
| Tboil | 874.33 | K | Joback Calculated Property |
| Tc | 1091.99 | K | Joback Calculated Property |
| Tfus | 508.59 | K | Joback Calculated Property |
| Vc | 1.083 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [940.46; 1022.19] | J/mol×K | [874.33; 1091.99] |
|
| Cp,gas | 940.46 | J/mol×K | 874.33 | Joback Calculated Property |
| Cp,gas | 958.08 | J/mol×K | 910.61 | Joback Calculated Property |
| Cp,gas | 974.07 | J/mol×K | 946.88 | Joback Calculated Property |
| Cp,gas | 988.46 | J/mol×K | 983.16 | Joback Calculated Property |
| Cp,gas | 1001.27 | J/mol×K | 1019.44 | Joback Calculated Property |
| Cp,gas | 1012.51 | J/mol×K | 1055.71 | Joback Calculated Property |
| Cp,gas | 1022.19 | J/mol×K | 1091.99 | Joback Calculated Property |
| η | [0.0000836; 0.0007300] | Pa×s | [508.59; 874.33] |
|
| η | 0.0007300 | Pa×s | 508.59 | Joback Calculated Property |
| η | 0.0004193 | Pa×s | 569.55 | Joback Calculated Property |
| η | 0.0002680 | Pa×s | 630.50 | Joback Calculated Property |
| η | 0.0001854 | Pa×s | 691.46 | Joback Calculated Property |
| η | 0.0001362 | Pa×s | 752.42 | Joback Calculated Property |
| η | 0.0001047 | Pa×s | 813.37 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 874.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylcyclohexyl pentyl ester.
Sources
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