- InChI
- InChI=1S/C15H18O4/c1-4-8-18-14(16)12-6-5-7-13(9-12)15(17)19-10-11(2)3/h5-7,9H,2,4,8,10H2,1,3H3
- InChI Key
- XQXFTKNDZPADHS-UHFFFAOYSA-N
- Formula
- C15H18O4
- SMILES
-
C=C(C)COC(=O)c1cccc(C(=O)OCCC)
c1 - Molecular Weight1
- 262.30
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7608 | Relay (... Calculated Property | |
| ΔfG° | -210.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.51 | kJ/mol | Relay (... Calculated Property |
| IE | 9.29 | eV | Relay (... Calculated Property |
| log10WS | -4.26 | Relay (... Calculated Property | |
| logPoct/wat | 2.986 | Crippen Calculated Property | |
| McVol | 209.030 | ml/mol | McGowan Calculated Property |
| Pc | 2060.49 | kPa | Joback Calculated Property |
| Inp | 1979.00 | NIST | |
| Tboil | 610.54 | K | Relay (... Calculated Property |
| Tc | 786.52 | K | Relay (... Calculated Property |
| Tfus | 286.82 | K | Relay (... Calculated Property |
| Vc | 0.769 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.94; 641.45] | J/mol×K | [723.40; 932.99] | 
|
| Cp,gas | 568.94 | J/mol×K | 723.40 | Joback Calculated Property |
| Cp,gas | 583.34 | J/mol×K | 758.33 | Joback Calculated Property |
| Cp,gas | 596.79 | J/mol×K | 793.26 | Joback Calculated Property |
| Cp,gas | 609.31 | J/mol×K | 828.20 | Joback Calculated Property |
| Cp,gas | 620.92 | J/mol×K | 863.13 | Joback Calculated Property |
| Cp,gas | 631.63 | J/mol×K | 898.06 | Joback Calculated Property |
| Cp,gas | 641.45 | J/mol×K | 932.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-methylprop-2-en-1-yl propyl ester.
Sources
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