- InChI
- InChI=1S/C14H16O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h3-6,8-9H,2,7,10H2,1H3,(H,15,16)/b4-3+
- InChI Key
- UOYDHCVOIGSHCY-ONEGZZNKSA-N
- Formula
- C14H16O4
- SMILES
- CCC=CCCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 248.27
- Other Names
-
- Phthalic acid, mono-(E)-hex-3-enyl ester
- (E)-Hex-3-enyl hydrogen phthalate
- Mono-(E)-hex-3-enyl phthalate
- ω : Acentric Factor.
- 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).
- 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 | 0.8558 | Relay (1.0) Calculated Property | |
| ΔfG° | -249.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.898 | Crippen Calculated Property | |
| McVol | 194.940 | ml/mol | McGowan Calculated Property |
| Pc | 2517.59 | kPa | Joback Calculated Property |
| Inp | 2015.00 | NIST | |
| Tboil | 603.08 | K | Relay (1.0) Calculated Property |
| Tc | 837.38 | K | Relay (1.0) Calculated Property |
| Tfus | 323.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.05; 600.75] | J/mol×K | [777.88; 982.21] | 
|
| Cp,gas | 543.05 | J/mol×K | 777.88 | Joback Calculated Property |
| Cp,gas | 554.44 | J/mol×K | 811.94 | Joback Calculated Property |
| Cp,gas | 565.08 | J/mol×K | 845.99 | Joback Calculated Property |
| Cp,gas | 575.00 | J/mol×K | 880.05 | Joback Calculated Property |
| Cp,gas | 584.23 | J/mol×K | 914.10 | Joback Calculated Property |
| Cp,gas | 592.80 | J/mol×K | 948.16 | Joback Calculated Property |
| Cp,gas | 600.75 | J/mol×K | 982.21 | Joback Calculated Property |
| η | [0.0000256; 0.0007698] | Pa×s | [464.31; 777.88] |
|
| η | 0.0007698 | Pa×s | 464.31 | Joback Calculated Property |
| η | 0.0003276 | Pa×s | 516.57 | Joback Calculated Property |
| η | 0.0001631 | Pa×s | 568.83 | Joback Calculated Property |
| η | 0.0000913 | Pa×s | 621.10 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 673.36 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 725.62 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 777.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-((Hex-3-enyloxy)carbonyl)benzoic acid.
Sources
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