- InChI
- InChI=1S/C19H26O4/c1-3-5-7-9-14-23-19(21)17-12-10-11-16(15-17)18(20)22-13-8-6-4-2/h5,7,10-12,15H,3-4,6,8-9,13-14H2,1-2H3/b7-5+
- InChI Key
- QQBIVNHSISUJMO-FNORWQNLSA-N
- Formula
- C19H26O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
C)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° | -175.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.58 | Crippen Calculated Property | |
| logPoct/wat | 4.547 | Crippen Calculated Property | |
| McVol | 265.390 | ml/mol | McGowan Calculated Property |
| Pc | 1499.99 | kPa | Joback Calculated Property |
| Inp | 2339.00 | NIST | |
| Tboil | 822.52 | K | Joback Calculated Property |
| Tc | 1026.70 | K | Joback Calculated Property |
| Tfus | 482.07 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.06; 870.63] | J/mol×K | [822.52; 1026.70] | 
|
| Cp,gas | 793.06 | J/mol×K | 822.52 | Joback Calculated Property |
| Cp,gas | 808.50 | J/mol×K | 856.55 | Joback Calculated Property |
| Cp,gas | 822.88 | J/mol×K | 890.58 | Joback Calculated Property |
| Cp,gas | 836.26 | J/mol×K | 924.61 | Joback Calculated Property |
| Cp,gas | 848.65 | J/mol×K | 958.64 | Joback Calculated Property |
| Cp,gas | 860.10 | J/mol×K | 992.67 | Joback Calculated Property |
| Cp,gas | 870.63 | J/mol×K | 1026.70 | Joback Calculated Property |
| η | [0.0000548; 0.0006034] | Pa×s | [482.07; 822.52] |
|
| η | 0.0006034 | Pa×s | 482.07 | Joback Calculated Property |
| η | 0.0003277 | Pa×s | 538.81 | Joback Calculated Property |
| η | 0.0001999 | Pa×s | 595.55 | Joback Calculated Property |
| η | 0.0001329 | Pa×s | 652.30 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 709.04 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 765.78 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 822.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentyl trans-hex-3-enyl ester.
Sources
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