- InChI
- InChI=1S/C22H32O4/c1-5-6-7-8-12-18(4)26-22(24)20-14-9-13-19(16-20)21(23)25-15-10-11-17(2)3/h8-9,12-14,16-18H,5-7,10-11,15H2,1-4H3/b12-8+
- InChI Key
- KATFQFHIPFJSFA-XYOKQWHBSA-N
- Formula
- C22H32O4
- SMILES
-
CCCCC=CC(C)OC(=O)c1cccc(C(=O)O
CCCC(C)C)c1 - Molecular Weight1
- 360.49
- 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° | -155.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.70 | Crippen Calculated Property | |
| logPoct/wat | 5.571 | Crippen Calculated Property | |
| McVol | 307.660 | ml/mol | McGowan Calculated Property |
| Pc | 1227.70 | kPa | Joback Calculated Property |
| Inp | [2586.00; 2586.00] |
|
|
| Inp | 2586.00 | NIST | |
| Inp | 2586.00 | NIST | |
| Tboil | 890.28 | K | Joback Calculated Property |
| Tc | 1099.25 | K | Joback Calculated Property |
| Tfus | 485.88 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [971.00; 1051.54] | J/mol×K | [890.28; 1099.25] |
|
| Cp,gas | 971.00 | J/mol×K | 890.28 | Joback Calculated Property |
| Cp,gas | 987.29 | J/mol×K | 925.11 | Joback Calculated Property |
| Cp,gas | 1002.38 | J/mol×K | 959.94 | Joback Calculated Property |
| Cp,gas | 1016.30 | J/mol×K | 994.76 | Joback Calculated Property |
| Cp,gas | 1029.11 | J/mol×K | 1029.59 | Joback Calculated Property |
| Cp,gas | 1040.84 | J/mol×K | 1064.42 | Joback Calculated Property |
| Cp,gas | 1051.54 | J/mol×K | 1099.25 | Joback Calculated Property |
| η | [0.0000301; 0.0005744] | Pa×s | [485.88; 890.28] |
|
| η | 0.0005744 | Pa×s | 485.88 | Joback Calculated Property |
| η | 0.0002606 | Pa×s | 553.28 | Joback Calculated Property |
| η | 0.0001404 | Pa×s | 620.68 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 688.08 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 755.48 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 822.88 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 890.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl oct-3-en-2-yl ester.
Sources
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