- InChI
- InChI=1S/C19H26O4/c1-13(2)12-22-18(20)15-8-6-9-16(11-15)19(21)23-17-10-5-4-7-14(17)3/h6,8-9,11,13-14,17H,4-5,7,10,12H2,1-3H3
- InChI Key
- BIDYCDNIIRTKOD-UHFFFAOYSA-N
- Formula
- C19H26O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OC2CCC
CC2C)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° | -241.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.235 | Crippen Calculated Property | |
| McVol | 258.830 | ml/mol | McGowan Calculated Property |
| Pc | 1660.55 | kPa | Joback Calculated Property |
| Inp | 2396.00 | NIST | |
| Tboil | 832.80 | K | Joback Calculated Property |
| Tc | 1056.75 | K | Joback Calculated Property |
| Tfus | 475.29 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [818.30; 901.12] | J/mol×K | [832.80; 1056.75] | 
|
| Cp,gas | 818.30 | J/mol×K | 832.80 | Joback Calculated Property |
| Cp,gas | 835.96 | J/mol×K | 870.13 | Joback Calculated Property |
| Cp,gas | 852.05 | J/mol×K | 907.45 | Joback Calculated Property |
| Cp,gas | 866.59 | J/mol×K | 944.78 | Joback Calculated Property |
| Cp,gas | 879.60 | J/mol×K | 982.10 | Joback Calculated Property |
| Cp,gas | 891.10 | J/mol×K | 1019.43 | Joback Calculated Property |
| Cp,gas | 901.12 | J/mol×K | 1056.75 | Joback Calculated Property |
| η | [0.0000769; 0.0009080] | Pa×s | [475.29; 832.80] |
|
| η | 0.0009080 | Pa×s | 475.29 | Joback Calculated Property |
| η | 0.0004785 | Pa×s | 534.88 | Joback Calculated Property |
| η | 0.0002868 | Pa×s | 594.46 | Joback Calculated Property |
| η | 0.0001886 | Pa×s | 654.04 | Joback Calculated Property |
| η | 0.0001331 | Pa×s | 713.63 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 773.21 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 832.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 2-methylcyclohexyl ester.
Sources
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