- InChI
- InChI=1S/C13H14O4/c1-2-3-6-9-17-13(16)11-8-5-4-7-10(11)12(14)15/h2,4-5,7-8H,1,3,6,9H2,(H,14,15)
- InChI Key
- HYCQCFCIEMXEMJ-UHFFFAOYSA-N
- Formula
- C13H14O4
- SMILES
- C=CCCCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 234.25
- CAS
- 190184-82-8
- 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° | -250.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.508 | Crippen Calculated Property | |
| McVol | 180.850 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Inp | [1921.00; 1921.00] |
|
|
| Inp | 1921.00 | NIST | |
| Inp | 1921.00 | NIST | |
| Tboil | 747.52 | K | Joback Calculated Property |
| Tc | 950.11 | K | Joback Calculated Property |
| Tfus | 456.36 | K | Joback Calculated Property |
| Vc | 0.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.32; 545.23] | J/mol×K | [747.52; 950.11] |
|
| Cp,gas | 490.32 | J/mol×K | 747.52 | Joback Calculated Property |
| Cp,gas | 501.23 | J/mol×K | 781.28 | Joback Calculated Property |
| Cp,gas | 511.41 | J/mol×K | 815.05 | Joback Calculated Property |
| Cp,gas | 520.87 | J/mol×K | 848.81 | Joback Calculated Property |
| Cp,gas | 529.65 | J/mol×K | 882.58 | Joback Calculated Property |
| Cp,gas | 537.76 | J/mol×K | 916.34 | Joback Calculated Property |
| Cp,gas | 545.23 | J/mol×K | 950.11 | Joback Calculated Property |
| η | [0.0000377; 0.0009534] | Pa×s | [456.36; 747.52] |
|
| η | 0.0009534 | Pa×s | 456.36 | Joback Calculated Property |
| η | 0.0004296 | Pa×s | 504.89 | Joback Calculated Property |
| η | 0.0002226 | Pa×s | 553.41 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 601.94 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 650.47 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 698.99 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 747.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-((Pent-4-enyloxy)carbonyl)benzoic acid.
Sources
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