- InChI
- InChI=1S/C22H34O4/c1-5-6-7-8-9-10-12-18(4)26-22(24)20-14-11-13-19(15-20)21(23)25-16-17(2)3/h11,13-15,17-18H,5-10,12,16H2,1-4H3
- InChI Key
- YAQLQYXUPLPDFE-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCCC(C)OC(=O)c1cccc(C(=O)
OCC(C)C)c1 - Molecular Weight1
- 362.50
- 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° | -235.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -772.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.04 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 5.795 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1184.16 | kPa | Joback Calculated Property |
| Inp | 2481.00 | NIST | |
| Tboil | 886.12 | K | Joback Calculated Property |
| Tc | 1091.62 | K | Joback Calculated Property |
| Tfus | 490.96 | K | Joback Calculated Property |
| Vc | 1.196 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.25; 1079.83] | J/mol×K | [886.12; 1091.62] | 
|
| Cp,gas | 998.25 | J/mol×K | 886.12 | Joback Calculated Property |
| Cp,gas | 1014.95 | J/mol×K | 920.37 | Joback Calculated Property |
| Cp,gas | 1030.37 | J/mol×K | 954.62 | Joback Calculated Property |
| Cp,gas | 1044.54 | J/mol×K | 988.87 | Joback Calculated Property |
| Cp,gas | 1057.48 | J/mol×K | 1023.12 | Joback Calculated Property |
| Cp,gas | 1069.24 | J/mol×K | 1057.37 | Joback Calculated Property |
| Cp,gas | 1079.83 | J/mol×K | 1091.62 | Joback Calculated Property |
| η | [0.0000345; 0.0006178] | Pa×s | [490.96; 886.12] |
|
| η | 0.0006178 | Pa×s | 490.96 | Joback Calculated Property |
| η | 0.0002874 | Pa×s | 556.82 | Joback Calculated Property |
| η | 0.0001572 | Pa×s | 622.68 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 688.54 | Joback Calculated Property |
| η | 0.0000645 | Pa×s | 754.40 | Joback Calculated Property |
| η | 0.0000460 | Pa×s | 820.26 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 886.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dec-2-yl isobutyl ester.
Sources
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