- InChI
- InChI=1S/C16H20O4/c1-4-5-9-19-15(17)13-7-6-8-14(10-13)16(18)20-11-12(2)3/h6-8,10H,2,4-5,9,11H2,1,3H3
- InChI Key
- WEYVRPSMMVNLFS-UHFFFAOYSA-N
- Formula
- C16H20O4
- SMILES
-
C=C(C)COC(=O)c1cccc(C(=O)OCCCC
)c1 - Molecular Weight1
- 276.33
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -201.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 3.376 | Crippen Calculated Property | |
| McVol | 223.120 | ml/mol | McGowan Calculated Property |
| Pc | 1892.00 | kPa | Joback Calculated Property |
| Inp | 2087.00 | NIST | |
| Tboil | 746.28 | K | Joback Calculated Property |
| Tc | 953.48 | K | Joback Calculated Property |
| Tfus | 437.62 | K | Joback Calculated Property |
| Vc | 0.854 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.12; 697.34] | J/mol×K | [746.28; 953.48] | 
|
| Cp,gas | 623.12 | J/mol×K | 746.28 | Joback Calculated Property |
| Cp,gas | 637.87 | J/mol×K | 780.81 | Joback Calculated Property |
| Cp,gas | 651.65 | J/mol×K | 815.35 | Joback Calculated Property |
| Cp,gas | 664.46 | J/mol×K | 849.88 | Joback Calculated Property |
| Cp,gas | 676.34 | J/mol×K | 884.41 | Joback Calculated Property |
| Cp,gas | 687.29 | J/mol×K | 918.95 | Joback Calculated Property |
| Cp,gas | 697.34 | J/mol×K | 953.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 2-methylprop-2-en-1-yl ester.
Sources
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