- InChI
- InChI=1S/C22H32O4/c1-3-5-7-9-10-12-17-26-22(24)20-15-13-14-19(18-20)21(23)25-16-11-8-6-4-2/h6,8,13-15,18H,3-5,7,9-12,16-17H2,1-2H3/b8-6+
- InChI Key
- OFUQKMMBLLJYKL-SOFGYWHQSA-N
- Formula
- C22H32O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
CCCC)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° | -150.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.77 | kJ/mol | Joback Calculated Property |
| log10WS | -6.83 | Crippen Calculated Property | |
| logPoct/wat | 5.717 | Crippen Calculated Property | |
| McVol | 307.660 | ml/mol | McGowan Calculated Property |
| Pc | 1214.05 | kPa | Joback Calculated Property |
| Inp | [2643.00; 2643.00] |
|
|
| Inp | 2643.00 | NIST | |
| Inp | 2643.00 | NIST | |
| Tboil | 891.16 | K | Joback Calculated Property |
| Tc | 1097.33 | K | Joback Calculated Property |
| Tfus | 515.88 | K | Joback Calculated Property |
| Vc | 1.188 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.03; 1050.37] | J/mol×K | [891.16; 1097.33] |
|
| Cp,gas | 970.03 | J/mol×K | 891.16 | Joback Calculated Property |
| Cp,gas | 986.16 | J/mol×K | 925.52 | Joback Calculated Property |
| Cp,gas | 1001.14 | J/mol×K | 959.88 | Joback Calculated Property |
| Cp,gas | 1015.00 | J/mol×K | 994.25 | Joback Calculated Property |
| Cp,gas | 1027.80 | J/mol×K | 1028.61 | Joback Calculated Property |
| Cp,gas | 1039.58 | J/mol×K | 1062.97 | Joback Calculated Property |
| Cp,gas | 1050.37 | J/mol×K | 1097.33 | Joback Calculated Property |
| η | [0.0000361; 0.0004447] | Pa×s | [515.88; 891.16] |
|
| η | 0.0004447 | Pa×s | 515.88 | Joback Calculated Property |
| η | 0.0002333 | Pa×s | 578.43 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 640.97 | Joback Calculated Property |
| η | 0.0000906 | Pa×s | 703.52 | Joback Calculated Property |
| η | 0.0000634 | Pa×s | 766.07 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 828.61 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 891.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, octyl trans-hex-3-enyl ester.
Sources
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