- InChI
- InChI=1S/C20H32O2/c1-2-3-4-5-6-7-13-18-22-20(21)17-12-11-16-19-14-9-8-10-15-19/h8-10,14-15H,2-7,11-13,16-18H2,1H3
- InChI Key
- LDJNXWXWSPXLJO-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
- CCCCCCCCCOC(=O)CCCCc1ccccc1
- Molecular Weight1
- 304.47
- 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 | 0.9038 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.693 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Pc | 1273.69 | kPa | Joback Calculated Property |
| Inp | [2298.00; 2298.00] |
|
|
| Inp | 2298.00 | NIST | |
| Inp | 2298.00 | NIST | |
| Tboil | 628.48 | K | Relay (1.0) Calculated Property |
| Tc | 820.19 | K | Relay (1.0) Calculated Property |
| Tfus | 268.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.050 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.84; 940.73] | 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 | -2.37880e+01 | |||
| Coefficient B | 1.77012e+00 | |||
| Coefficient C | -1.00080e-03 | |||
| Coefficient D | 1.95200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 388.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 485.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 572.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 649.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 717.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 776.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 827.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 871.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 909.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 940.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017673; 0.0001077] | Pa×s | [383.91; 651.20] |
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 | -1.31544e+01 | |||
| Coefficient B | 2.61678e+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. | 383.91 | |||
| Temperature range, max. | 651.20 | |||
| η | 0.0017673 | Pa×s | 383.91 | Calculated Property |
| η | 0.0010833 | Pa×s | 413.61 | Calculated Property |
| η | 0.0007091 | Pa×s | 443.31 | Calculated Property |
| η | 0.0004895 | Pa×s | 473.01 | Calculated Property |
| η | 0.0003530 | Pa×s | 502.71 | Calculated Property |
| η | 0.0002640 | Pa×s | 532.41 | Calculated Property |
| η | 0.0002037 | Pa×s | 562.11 | Calculated Property |
| η | 0.0001612 | Pa×s | 591.81 | Calculated Property |
| η | 0.0001305 | Pa×s | 621.50 | Calculated Property |
| η | 0.0001077 | Pa×s | 651.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, nonyl ester.
Sources
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