- InChI
- InChI=1S/C22H30O4/c1-15-8-3-5-12-19(15)25-21(23)17-10-7-11-18(14-17)22(24)26-20-13-6-4-9-16(20)2/h7,10-11,14-16,19-20H,3-6,8-9,12-13H2,1-2H3
- InChI Key
- HCBFNDXUODMGQK-UHFFFAOYSA-N
- Formula
- C22H30O4
- SMILES
-
CC1CCCCC1OC(=O)c1cccc(C(=O)OC2
CCCCC2C)c1 - Molecular Weight1
- 358.47
- 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° | -197.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -693.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.06 | kJ/mol | Joback Calculated Property |
| log10WS | -6.51 | Crippen Calculated Property | |
| logPoct/wat | 5.158 | Crippen Calculated Property | |
| McVol | 290.240 | ml/mol | McGowan Calculated Property |
| Pc | 1504.65 | kPa | Joback Calculated Property |
| Inp | [2799.00; 2799.00] |
|
|
| Inp | 2799.00 | NIST | |
| Inp | 2799.00 | NIST | |
| Tboil | 916.76 | K | Joback Calculated Property |
| Tc | 1156.16 | K | Joback Calculated Property |
| Tfus | 527.24 | K | Joback Calculated Property |
| Vc | 1.071 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [996.17; 1072.30] | J/mol×K | [916.76; 1156.16] |
|
| Cp,gas | 996.17 | J/mol×K | 916.76 | Joback Calculated Property |
| Cp,gas | 1014.17 | J/mol×K | 956.66 | Joback Calculated Property |
| Cp,gas | 1030.01 | J/mol×K | 996.56 | Joback Calculated Property |
| Cp,gas | 1043.70 | J/mol×K | 1036.46 | Joback Calculated Property |
| Cp,gas | 1055.29 | J/mol×K | 1076.36 | Joback Calculated Property |
| Cp,gas | 1064.82 | J/mol×K | 1116.26 | Joback Calculated Property |
| Cp,gas | 1072.30 | J/mol×K | 1156.16 | Joback Calculated Property |
| η | [0.0000763; 0.0007606] | Pa×s | [527.24; 916.76] |
|
| η | 0.0007606 | Pa×s | 527.24 | Joback Calculated Property |
| η | 0.0004202 | Pa×s | 592.16 | Joback Calculated Property |
| η | 0.0002610 | Pa×s | 657.08 | Joback Calculated Property |
| η | 0.0001766 | Pa×s | 722.00 | Joback Calculated Property |
| η | 0.0001275 | Pa×s | 786.92 | Joback Calculated Property |
| η | 0.0000967 | Pa×s | 851.84 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 916.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(2-methylcyclohexyl) ester.
Sources
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