- InChI
- InChI=1S/C19H28O4/c1-5-6-7-9-15(4)23-19(21)17-11-8-10-16(12-17)18(20)22-13-14(2)3/h8,10-12,14-15H,5-7,9,13H2,1-4H3
- InChI Key
- GIEIKRSFYHPDNL-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCCCCC(C)OC(=O)c1cccc(C(=O)OCC
(C)C)c1 - Molecular Weight1
- 320.42
- Other Names
-
- Isophthalic acid, hex-3-yl isobutyl ester
- 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° | -260.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.36 | kJ/mol | Joback Calculated Property |
| log10WS | -5.59 | Crippen Calculated Property | |
| logPoct/wat | 4.625 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1459.02 | kPa | Joback Calculated Property |
| Inp | [2189.00; 2189.00] |
|
|
| Inp | 2189.00 | NIST | |
| Inp | 2189.00 | NIST | |
| Tboil | 817.48 | K | Joback Calculated Property |
| Tc | 1021.25 | K | Joback Calculated Property |
| Tfus | 457.15 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [820.12; 900.66] | J/mol×K | [817.48; 1021.25] |
|
| Cp,gas | 820.12 | J/mol×K | 817.48 | Joback Calculated Property |
| Cp,gas | 836.35 | J/mol×K | 851.44 | Joback Calculated Property |
| Cp,gas | 851.44 | J/mol×K | 885.40 | Joback Calculated Property |
| Cp,gas | 865.39 | J/mol×K | 919.36 | Joback Calculated Property |
| Cp,gas | 878.23 | J/mol×K | 953.32 | Joback Calculated Property |
| Cp,gas | 889.98 | J/mol×K | 987.28 | Joback Calculated Property |
| Cp,gas | 900.66 | J/mol×K | 1021.25 | Joback Calculated Property |
| η | [0.0000530; 0.0008629] | Pa×s | [457.15; 817.48] |
|
| η | 0.0008629 | Pa×s | 457.15 | Joback Calculated Property |
| η | 0.0004138 | Pa×s | 517.21 | Joback Calculated Property |
| η | 0.0002312 | Pa×s | 577.26 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 637.32 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 697.37 | Joback Calculated Property |
| η | 0.0000702 | Pa×s | 757.42 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 817.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 2-hexyl ester.
Sources
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