- InChI
- InChI=1S/C15H22O2/c1-3-14(4-2)15(16)17-12-8-11-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3
- InChI Key
- RIIHSWLVNNRVOK-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CCC(CC)C(=O)OCCCc1ccccc1
- Molecular Weight1
- 234.34
- 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 | 0.6493 | Relay (1.0) Calculated Property | |
| ΔfG° | -124.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.599 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1867.55 | kPa | Joback Calculated Property |
| Inp | 1673.00 | NIST | |
| Tboil | 559.37 | K | Relay (1.0) Calculated Property |
| Tc | 774.04 | K | Relay (1.0) Calculated Property |
| Tfus | 239.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.746 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.52; 630.58] | J/mol×K | [627.26; 826.21] | 
|
| Cp,gas | 540.52 | J/mol×K | 627.26 | Joback Calculated Property |
| Cp,gas | 557.99 | J/mol×K | 660.42 | Joback Calculated Property |
| Cp,gas | 574.43 | J/mol×K | 693.58 | Joback Calculated Property |
| Cp,gas | 589.88 | J/mol×K | 726.73 | Joback Calculated Property |
| Cp,gas | 604.37 | J/mol×K | 759.89 | Joback Calculated Property |
| Cp,gas | 617.92 | J/mol×K | 793.05 | Joback Calculated Property |
| Cp,gas | 630.58 | J/mol×K | 826.21 | Joback Calculated Property |
| η | [0.0001146; 0.0038165] | Pa×s | [312.56; 627.26] |
|
| η | 0.0038165 | Pa×s | 312.56 | Joback Calculated Property |
| η | 0.0013985 | Pa×s | 365.01 | Joback Calculated Property |
| η | 0.0006595 | Pa×s | 417.46 | Joback Calculated Property |
| η | 0.0003678 | Pa×s | 469.91 | Joback Calculated Property |
| η | 0.0002307 | Pa×s | 522.36 | Joback Calculated Property |
| η | 0.0001575 | Pa×s | 574.81 | Joback Calculated Property |
| η | 0.0001146 | Pa×s | 627.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 3-phenylpropyl ester.
Sources
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