- InChI
- InChI=1S/C12H12O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h2,4-7H,1,3,8H2,(H,13,14)
- InChI Key
- ITFNEGUSSAPBNU-UHFFFAOYSA-N
- Formula
- C12H12O4
- SMILES
- C=CCCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 220.22
- CAS
- 113793-34-3
- 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 | 0.8228 | Relay (1.0) Calculated Property | |
| ΔfG° | -258.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.118 | Crippen Calculated Property | |
| McVol | 166.760 | ml/mol | McGowan Calculated Property |
| Pc | 3049.04 | kPa | Joback Calculated Property |
| Inp | 1800.00 | NIST | |
| Tboil | 605.14 | K | Relay (1.0) Calculated Property |
| Tc | 827.02 | K | Relay (1.0) Calculated Property |
| Tfus | 334.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.60; 490.74] | J/mol×K | [724.64; 929.19] | 
|
| Cp,gas | 438.60 | J/mol×K | 724.64 | Joback Calculated Property |
| Cp,gas | 448.97 | J/mol×K | 758.73 | Joback Calculated Property |
| Cp,gas | 458.64 | J/mol×K | 792.82 | Joback Calculated Property |
| Cp,gas | 467.63 | J/mol×K | 826.91 | Joback Calculated Property |
| Cp,gas | 475.97 | J/mol×K | 861.00 | Joback Calculated Property |
| Cp,gas | 483.66 | J/mol×K | 895.09 | Joback Calculated Property |
| Cp,gas | 490.74 | J/mol×K | 929.19 | Joback Calculated Property |
| η | [0.0000445; 0.0010920] | Pa×s | [445.09; 724.64] |
|
| η | 0.0010920 | Pa×s | 445.09 | Joback Calculated Property |
| η | 0.0004977 | Pa×s | 491.68 | Joback Calculated Property |
| η | 0.0002598 | Pa×s | 538.27 | Joback Calculated Property |
| η | 0.0001505 | Pa×s | 584.87 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 631.46 | Joback Calculated Property |
| η | 0.0000632 | Pa×s | 678.05 | Joback Calculated Property |
| η | 0.0000445 | Pa×s | 724.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-((But-3-enyloxy)carbonyl)benzoic acid.
Sources
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