- InChI
- InChI=1S/C15H16O4/c1-4-9-18-14(16)12-7-6-8-13(10-12)15(17)19-11(3)5-2/h2,6-8,10-11H,4,9H2,1,3H3
- InChI Key
- YVXSZFPQXUADMW-UHFFFAOYSA-N
- Formula
- C15H16O4
- SMILES
-
C#CC(C)OC(=O)c1cccc(C(=O)OCCC)
c1 - Molecular Weight1
- 260.29
- 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 | 0.6716 | Relay (... Calculated Property | |
| ΔfG° | -69.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.63 | kJ/mol | Relay (... Calculated Property |
| IE | 9.41 | eV | Relay (... Calculated Property |
| log10WS | -3.94 | Relay (... Calculated Property | |
| logPoct/wat | 2.432 | Crippen Calculated Property | |
| McVol | 204.730 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Inp | 1918.00 | NIST | |
| Tboil | 594.52 | K | Relay (... Calculated Property |
| Tc | 779.91 | K | Relay (... Calculated Property |
| Tfus | 294.72 | K | Relay (... Calculated Property |
| Vc | 0.732 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.02; 614.97] | J/mol×K | [716.52; 934.85] | 
|
| Cp,gas | 545.02 | J/mol×K | 716.52 | Joback Calculated Property |
| Cp,gas | 559.04 | J/mol×K | 752.91 | Joback Calculated Property |
| Cp,gas | 572.09 | J/mol×K | 789.30 | Joback Calculated Property |
| Cp,gas | 584.19 | J/mol×K | 825.69 | Joback Calculated Property |
| Cp,gas | 595.36 | J/mol×K | 862.08 | Joback Calculated Property |
| Cp,gas | 605.61 | J/mol×K | 898.47 | Joback Calculated Property |
| Cp,gas | 614.97 | J/mol×K | 934.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, but-3-yn-2-yl propyl ester.
Sources
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