- InChI
- InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-13-18-22-20(21)17-16-19-14-11-10-12-15-19/h9-15H,2-8,16-18H2,1H3/b13-9+
- InChI Key
- PPSMSYBRCIUADP-UKTHLTGXSA-N
- Formula
- C20H30O2
- SMILES
- CCCCCCCCC=CCOC(=O)CCc1ccccc1
- Molecular Weight1
- 302.45
- 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 | 0.8077 | Relay (1.0) Calculated Property | |
| ΔfG° | -0.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.469 | Crippen Calculated Property | |
| McVol | 272.040 | ml/mol | McGowan Calculated Property |
| Pc | 1322.31 | kPa | Joback Calculated Property |
| Inp | [2234.00; 2234.00] |
|
|
| Inp | 2234.00 | NIST | |
| Inp | 2234.00 | NIST | |
| Tboil | 620.13 | K | Relay (1.0) Calculated Property |
| Tc | 820.50 | K | Relay (1.0) Calculated Property |
| Tfus | 255.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.995 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.83; 910.15] | 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 | -3.79700e+01 | |||
| Coefficient B | 1.79012e+00 | |||
| Coefficient C | -1.08460e-03 | |||
| Coefficient D | 2.42600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 374.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 470.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 555.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 629.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 695.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 752.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 801.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 843.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 879.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 910.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016578; 0.0000910] | Pa×s | [378.83; 657.71] |
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 | -1.32471e+01 | |||
| Coefficient B | 2.59302e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 378.83 | |||
| Temperature range, max. | 657.71 | |||
| η | 0.0016578 | Pa×s | 378.83 | Calculated Property |
| η | 0.0009880 | Pa×s | 409.82 | Calculated Property |
| η | 0.0006333 | Pa×s | 440.80 | Calculated Property |
| η | 0.0004303 | Pa×s | 471.79 | Calculated Property |
| η | 0.0003067 | Pa×s | 502.78 | Calculated Property |
| η | 0.0002273 | Pa×s | 533.76 | Calculated Property |
| η | 0.0001741 | Pa×s | 564.75 | Calculated Property |
| η | 0.0001372 | Pa×s | 595.74 | Calculated Property |
| η | 0.0001106 | Pa×s | 626.72 | Calculated Property |
| η | 0.0000910 | Pa×s | 657.71 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, undec-2-enyl ester.
Sources
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