- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.45; 683.32] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.09250e+01 | |||
| Coefficient B | 1.30104e+00 | |||
| Coefficient C | -7.32000e-04 | |||
| Coefficient D | 1.35200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 282.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 353.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 417.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 473.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 523.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 566.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 603.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 635.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 661.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 683.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038165; 0.0001539] | Pa×s | [312.56; 578.34] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.25552e+01 | |||
| Coefficient B | 2.18380e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 312.56 | |||
| Temperature range, max. | 578.34 | |||
| η | 0.0038165 | Pa×s | 312.56 | Calculated Property |
| η | 0.0020880 | Pa×s | 342.09 | Calculated Property |
| η | 0.0012572 | Pa×s | 371.62 | Calculated Property |
| η | 0.0008157 | Pa×s | 401.15 | Calculated Property |
| η | 0.0005616 | Pa×s | 430.69 | Calculated Property |
| η | 0.0004056 | Pa×s | 460.22 | Calculated Property |
| η | 0.0003047 | Pa×s | 489.75 | Calculated Property |
| η | 0.0002364 | Pa×s | 519.28 | Calculated Property |
| η | 0.0001886 | Pa×s | 548.81 | Calculated Property |
| η | 0.0001539 | Pa×s | 578.34 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 3-phenylpropyl ester.
Sources
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