- InChI
- InChI=1S/C13H18O3/c1-2-3-9-13(14)16-11-10-15-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
- InChI Key
- VTDVFBXXQCGSIB-UHFFFAOYSA-N
- Formula
- C13H18O3
- SMILES
- CCCCC(=O)OCCOc1ccccc1
- Molecular Weight1
- 222.28
- 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 | 0.6931 | Relay (1.0) Calculated Property | |
| ΔfG° | -167.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -505.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.799 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | 1619.00 | NIST | |
| Tboil | 563.65 | K | Relay (1.0) Calculated Property |
| Tc | 752.01 | K | Relay (1.0) Calculated Property |
| Tfus | 274.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.688 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.84; 550.25] | J/mol×K | [622.23; 823.28] | 
|
| Cp,gas | 469.84 | J/mol×K | 622.23 | Joback Calculated Property |
| Cp,gas | 485.31 | J/mol×K | 655.74 | Joback Calculated Property |
| Cp,gas | 499.93 | J/mol×K | 689.25 | Joback Calculated Property |
| Cp,gas | 513.73 | J/mol×K | 722.75 | Joback Calculated Property |
| Cp,gas | 526.70 | J/mol×K | 756.26 | Joback Calculated Property |
| Cp,gas | 538.87 | J/mol×K | 789.77 | Joback Calculated Property |
| Cp,gas | 550.25 | J/mol×K | 823.28 | Joback Calculated Property |
| η | [0.0001331; 0.0015527] | Pa×s | [357.08; 622.23] |
|
| η | 0.0015527 | Pa×s | 357.08 | Joback Calculated Property |
| η | 0.0008230 | Pa×s | 401.27 | Joback Calculated Property |
| η | 0.0004948 | Pa×s | 445.46 | Joback Calculated Property |
| η | 0.0003261 | Pa×s | 489.66 | Joback Calculated Property |
| η | 0.0002302 | Pa×s | 533.85 | Joback Calculated Property |
| η | 0.0001715 | Pa×s | 578.04 | Joback Calculated Property |
| η | 0.0001331 | Pa×s | 622.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxyethyl pentanoate.
Sources
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