- InChI
- InChI=1S/C17H26O2/c1-2-3-4-5-6-7-11-14-19-17(18)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
- InChI Key
- QICYMLLAPDCBNZ-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCCCCCCOC(=O)Cc1ccccc1
- Molecular Weight1
- 262.39
- CAS
- 72109-82-1
- Other Names
-
- Phenylacetic acid, nonyl ester
- nonyl phenylacetate
- 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 | 0.7889 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.523 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1582.23 | kPa | Joback Calculated Property |
| Inp | [1906.65; 1935.31] |
|
|
| Inp | 1906.65 | NIST | |
| Inp | 1935.31 | NIST | |
| Inp | 1906.65 | NIST | |
| Tboil | 597.39 | K | Relay (1.0) Calculated Property |
| Tc | 799.06 | K | Relay (1.0) Calculated Property |
| Tfus | 271.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.885 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.20; 785.96] | 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 | -2.10610e+01 | |||
| Coefficient B | 1.48512e+00 | |||
| Coefficient C | -8.37600e-04 | |||
| Coefficient D | 1.59500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 325.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 406.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 479.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 543.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 600.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 649.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 692.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 729.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 760.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 785.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023848; 0.0001434] | Pa×s | [350.10; 605.30] |
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 | -1.27062e+01 | |||
| Coefficient B | 2.33430e+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. | 350.10 | |||
| Temperature range, max. | 605.30 | |||
| η | 0.0023848 | Pa×s | 350.10 | Calculated Property |
| η | 0.0014471 | Pa×s | 378.46 | Calculated Property |
| η | 0.0009414 | Pa×s | 406.81 | Calculated Property |
| η | 0.0006477 | Pa×s | 435.17 | Calculated Property |
| η | 0.0004665 | Pa×s | 463.52 | Calculated Property |
| η | 0.0003490 | Pa×s | 491.88 | Calculated Property |
| η | 0.0002694 | Pa×s | 520.24 | Calculated Property |
| η | 0.0002137 | Pa×s | 548.59 | Calculated Property |
| η | 0.0001733 | Pa×s | 576.95 | Calculated Property |
| η | 0.0001434 | Pa×s | 605.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, nonyl ester.
Sources
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