- InChI
- InChI=1S/C14H20O2/c1-4-13(5-2)14(15)16-10-12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3
- InChI Key
- NEYAYNQLBYCIBF-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCC(CC)C(=O)OCc1cccc(C)c1
- Molecular Weight1
- 220.31
- 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).
- 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 | 0.6046 | Relay (1.0) Calculated Property | |
| ΔfG° | -143.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.474 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2005.50 | kPa | Joback Calculated Property |
| Inp | 1564.00 | NIST | |
| Tboil | 531.01 | K | Relay (1.0) Calculated Property |
| Tc | 760.05 | K | Relay (1.0) Calculated Property |
| Tfus | 228.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.691 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.50; 575.40] | J/mol×K | [609.36; 811.99] | 
|
| Cp,gas | 488.50 | J/mol×K | 609.36 | Joback Calculated Property |
| Cp,gas | 505.31 | J/mol×K | 643.13 | Joback Calculated Property |
| Cp,gas | 521.16 | J/mol×K | 676.90 | Joback Calculated Property |
| Cp,gas | 536.07 | J/mol×K | 710.68 | Joback Calculated Property |
| Cp,gas | 550.06 | J/mol×K | 744.45 | Joback Calculated Property |
| Cp,gas | 563.17 | J/mol×K | 778.22 | Joback Calculated Property |
| Cp,gas | 575.40 | J/mol×K | 811.99 | Joback Calculated Property |
| η | [0.0001260; 0.0029429] | Pa×s | [313.81; 609.36] |
|
| η | 0.0029429 | Pa×s | 313.81 | Joback Calculated Property |
| η | 0.0012191 | Pa×s | 363.07 | Joback Calculated Property |
| η | 0.0006234 | Pa×s | 412.33 | Joback Calculated Property |
| η | 0.0003678 | Pa×s | 461.58 | Joback Calculated Property |
| η | 0.0002403 | Pa×s | 510.84 | Joback Calculated Property |
| η | 0.0001692 | Pa×s | 560.10 | Joback Calculated Property |
| η | 0.0001260 | Pa×s | 609.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 3-methylbenzyl ester.
Sources
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