- InChI
- InChI=1S/C18H24O4/c1-3-5-7-8-13-22-18(20)16-11-9-10-15(14-16)17(19)21-12-6-4-2/h5,7,9-11,14H,3-4,6,8,12-13H2,1-2H3/b7-5-
- InChI Key
- QJWBUTMYQPXRQV-ALCCZGGFSA-N
- Formula
- C18H24O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
)c1 - Molecular Weight1
- 304.38
- 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° | -184.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.16 | Crippen Calculated Property | |
| logPoct/wat | 4.157 | Crippen Calculated Property | |
| McVol | 251.300 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | [2246.00; 2246.00] |
|
|
| Inp | 2246.00 | NIST | |
| Inp | 2246.00 | NIST | |
| Tboil | 799.64 | K | Joback Calculated Property |
| Tc | 1004.52 | K | Joback Calculated Property |
| Tfus | 470.80 | K | Joback Calculated Property |
| Vc | 0.964 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.73; 812.18] | J/mol×K | [799.64; 1004.52] |
|
| Cp,gas | 735.73 | J/mol×K | 799.64 | Joback Calculated Property |
| Cp,gas | 750.91 | J/mol×K | 833.79 | Joback Calculated Property |
| Cp,gas | 765.08 | J/mol×K | 867.93 | Joback Calculated Property |
| Cp,gas | 778.26 | J/mol×K | 902.08 | Joback Calculated Property |
| Cp,gas | 790.48 | J/mol×K | 936.23 | Joback Calculated Property |
| Cp,gas | 801.78 | J/mol×K | 970.37 | Joback Calculated Property |
| Cp,gas | 812.18 | J/mol×K | 1004.52 | Joback Calculated Property |
| η | [0.0000626; 0.0006620] | Pa×s | [470.80; 799.64] |
|
| η | 0.0006620 | Pa×s | 470.80 | Joback Calculated Property |
| η | 0.0003640 | Pa×s | 525.61 | Joback Calculated Property |
| η | 0.0002241 | Pa×s | 580.41 | Joback Calculated Property |
| η | 0.0001500 | Pa×s | 635.22 | Joback Calculated Property |
| η | 0.0001070 | Pa×s | 690.03 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 744.83 | Joback Calculated Property |
| η | 0.0000626 | Pa×s | 799.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl cis-hex-3-enyl ester.
Sources
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