- InChI
- InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
- InChI Key
- PDGPIBIURNPBSE-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CCCCC(=O)OCCc1ccccc1
- Molecular Weight1
- 206.28
- CAS
- 7460-74-4
- Other Names
-
- Phenylethyl valerate
- Valeric acid, phenethyl ester
- 2-Phenethyl pentanoate
- Valeric acid, 2-phenylethyl ester
- Phenylethyl N-valerate
- 2-Phenylethyl pentanoate
- Phenethyl valerate
- Phenylethyl pentanoate
- NSC 404213
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -62.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 2.962 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Inp | [1517.00; 1539.00] |
|
|
| Inp | 1539.00 | NIST | |
| Inp | 1517.00 | NIST | |
| I | 2034.00 | NIST | |
| Tboil | 599.81 | K | Joback Calculated Property |
| Tc | 802.73 | K | Joback Calculated Property |
| Tfus | 334.85 | K | Joback Calculated Property |
| Vc | 0.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.32; 525.42] | J/mol×K | [599.81; 802.73] |
|
| Cp,gas | 443.32 | J/mol×K | 599.81 | Joback Calculated Property |
| Cp,gas | 459.12 | J/mol×K | 633.63 | Joback Calculated Property |
| Cp,gas | 474.04 | J/mol×K | 667.45 | Joback Calculated Property |
| Cp,gas | 488.11 | J/mol×K | 701.27 | Joback Calculated Property |
| Cp,gas | 501.35 | J/mol×K | 735.09 | Joback Calculated Property |
| Cp,gas | 513.77 | J/mol×K | 768.91 | Joback Calculated Property |
| Cp,gas | 525.42 | J/mol×K | 802.73 | Joback Calculated Property |
| η | [0.0001678; 0.0021584] | Pa×s | [334.85; 599.81] |
|
| η | 0.0021584 | Pa×s | 334.85 | Joback Calculated Property |
| η | 0.0011004 | Pa×s | 379.01 | Joback Calculated Property |
| η | 0.0006457 | Pa×s | 423.17 | Joback Calculated Property |
| η | 0.0004190 | Pa×s | 467.33 | Joback Calculated Property |
| η | 0.0002930 | Pa×s | 511.49 | Joback Calculated Property |
| η | 0.0002169 | Pa×s | 555.65 | Joback Calculated Property |
| η | 0.0001678 | Pa×s | 599.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2-phenylethyl ester.
Sources
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