- InChI
- InChI=1S/C13H16O4/c1-3-6-9(2)17-13(16)11-8-5-4-7-10(11)12(14)15/h4-5,7-9H,3,6H2,1-2H3,(H,14,15)
- InChI Key
- MDKPYAGDECEICL-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- CCCC(C)OC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 236.26
- CAS
- 158703-44-7
- 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 | 0.8629 | Relay (... Calculated Property | |
| ΔfG° | -340.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.15 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.30 | kJ/mol | Relay (... Calculated Property |
| IE | 9.34 | eV | Relay (... Calculated Property |
| log10WS | -3.02 | Relay (... Calculated Property | |
| logPoct/wat | 2.730 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Inp | 1842.00 | NIST | |
| Tboil | 581.41 | K | Relay (... Calculated Property |
| Tc | 810.84 | K | Relay (... Calculated Property |
| Tfus | 326.09 | K | Relay (... Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.58; 574.30] | J/mol×K | [750.40; 953.14] | 
|
| Cp,gas | 515.58 | J/mol×K | 750.40 | Joback Calculated Property |
| Cp,gas | 527.27 | J/mol×K | 784.19 | Joback Calculated Property |
| Cp,gas | 538.17 | J/mol×K | 817.98 | Joback Calculated Property |
| Cp,gas | 548.30 | J/mol×K | 851.77 | Joback Calculated Property |
| Cp,gas | 557.69 | J/mol×K | 885.56 | Joback Calculated Property |
| Cp,gas | 566.35 | J/mol×K | 919.35 | Joback Calculated Property |
| Cp,gas | 574.30 | J/mol×K | 953.14 | Joback Calculated Property |
| η | [0.0000326; 0.0011855] | Pa×s | [443.12; 750.40] |
|
| η | 0.0011855 | Pa×s | 443.12 | Joback Calculated Property |
| η | 0.0004776 | Pa×s | 494.33 | Joback Calculated Property |
| η | 0.0002282 | Pa×s | 545.55 | Joback Calculated Property |
| η | 0.0001238 | Pa×s | 596.76 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 647.97 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 699.19 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 750.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-((Pentan-2-yloxy)carbonyl)benzoic acid.
Sources
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