- InChI
- InChI=1S/C19H30O2/c1-2-3-4-5-6-7-11-17-21-19(20)16-12-15-18-13-9-8-10-14-18/h8-10,13-14H,2-7,11-12,15-17H2,1H3
- InChI Key
- OUVDUDLJCSORPT-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCCCCCCOC(=O)CCCc1ccccc1
- Molecular Weight1
- 290.44
- 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 | 0.8657 | Relay (1.0) Calculated Property | |
| ΔfG° | -88.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.303 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1365.67 | kPa | Joback Calculated Property |
| Inp | [2194.00; 2194.00] |
|
|
| Inp | 2194.00 | NIST | |
| Inp | 2194.00 | NIST | |
| Tboil | 620.01 | K | Relay (1.0) Calculated Property |
| Tc | 813.35 | K | Relay (1.0) Calculated Property |
| Tfus | 270.52 | 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 | [367.62; 889.14] | 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 | -2.28790e+01 | |||
| Coefficient B | 1.67512e+00 | |||
| Coefficient C | -9.46400e-04 | |||
| Coefficient D | 1.83300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 367.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 459.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 541.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 614.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 678.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 734.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 782.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 824.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 859.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 889.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019636; 0.0001193] | Pa×s | [372.64; 635.57] |
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 | -1.30026e+01 | |||
| Coefficient B | 2.52262e+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. | 372.64 | |||
| Temperature range, max. | 635.57 | |||
| η | 0.0019636 | Pa×s | 372.64 | Calculated Property |
| η | 0.0012004 | Pa×s | 401.85 | Calculated Property |
| η | 0.0007844 | Pa×s | 431.07 | Calculated Property |
| η | 0.0005410 | Pa×s | 460.28 | Calculated Property |
| η | 0.0003901 | Pa×s | 489.50 | Calculated Property |
| η | 0.0002918 | Pa×s | 518.71 | Calculated Property |
| η | 0.0002252 | Pa×s | 547.93 | Calculated Property |
| η | 0.0001784 | Pa×s | 577.14 | Calculated Property |
| η | 0.0001445 | Pa×s | 606.36 | Calculated Property |
| η | 0.0001193 | Pa×s | 635.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, nonyl ester.
Sources
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