- InChI
- InChI=1S/C14H18O4/c1-9(2)8-10(3)18-14(17)12-7-5-4-6-11(12)13(15)16/h4-7,9-10H,8H2,1-3H3,(H,15,16)
- InChI Key
- WBCHJVGWGRPPOT-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
- CC(C)CC(C)OC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 250.29
- CAS
- 856806-35-4
- 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 | 0.8639 | Relay (1.0) Calculated Property | |
| ΔfG° | -334.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.976 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2429.05 | kPa | Joback Calculated Property |
| Inp | [1896.00; 1896.00] |
|
|
| Inp | 1896.00 | NIST | |
| Inp | 1896.00 | NIST | |
| Tboil | 587.31 | K | Relay (1.0) Calculated Property |
| Tc | 818.54 | K | Relay (1.0) Calculated Property |
| Tfus | 348.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.712 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.69; 631.13] | J/mol×K | [772.84; 976.87] |
|
| Cp,gas | 569.69 | J/mol×K | 772.84 | Joback Calculated Property |
| Cp,gas | 581.99 | J/mol×K | 806.84 | Joback Calculated Property |
| Cp,gas | 593.43 | J/mol×K | 840.85 | Joback Calculated Property |
| Cp,gas | 604.04 | J/mol×K | 874.85 | Joback Calculated Property |
| Cp,gas | 613.85 | J/mol×K | 908.86 | Joback Calculated Property |
| Cp,gas | 622.87 | J/mol×K | 942.86 | Joback Calculated Property |
| Cp,gas | 631.13 | J/mol×K | 976.87 | Joback Calculated Property |
| η | [0.0000253; 0.0013095] | Pa×s | [439.39; 772.84] |
|
| η | 0.0013095 | Pa×s | 439.39 | Joback Calculated Property |
| η | 0.0004687 | Pa×s | 494.97 | Joback Calculated Property |
| η | 0.0002064 | Pa×s | 550.54 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 606.12 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 661.69 | Joback Calculated Property |
| η | 0.0000378 | Pa×s | 717.26 | Joback Calculated Property |
| η | 0.0000253 | Pa×s | 772.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-((4-Methylpentan-2-yloxy)carbonyl)benzoic acid.
Sources
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