- InChI
- InChI=1S/C19H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-21-19(20)17-6-4-2/h3-18H2,1-2H3
- InChI Key
- JUMMJAUPZPGTRV-UHFFFAOYSA-N
- Formula
- C19H38O2
- SMILES
- CCCCCCCCCCCCCCOC(=O)CCCC
- Molecular Weight1
- 298.51
- 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).
- 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 | 0.9411 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.421 | Crippen Calculated Property | |
| McVol | 286.010 | ml/mol | McGowan Calculated Property |
| Pc | 1084.20 | kPa | Joback Calculated Property |
| Tboil | 584.88 | K | Relay (1.0) Calculated Property |
| Tc | 768.00 | K | Relay (1.0) Calculated Property |
| Tfus | 277.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.128 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.88; 1007.67] | 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 | 1.10260e+01 | |||
| Coefficient B | 1.75404e+00 | |||
| Coefficient C | -9.15200e-04 | |||
| Coefficient D | 1.57800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 424.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 524.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 613.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 693.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 764.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 827.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 883.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 931.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 972.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1007.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027352; 0.0001294] | Pa×s | [346.22; 601.44] |
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 | -1.30912e+01 | |||
| Coefficient B | 2.48920e+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. | 346.22 | |||
| Temperature range, max. | 601.44 | |||
| η | 0.0027352 | Pa×s | 346.22 | Calculated Property |
| η | 0.0015871 | Pa×s | 374.58 | Calculated Property |
| η | 0.0009942 | Pa×s | 402.94 | Calculated Property |
| η | 0.0006624 | Pa×s | 431.29 | Calculated Property |
| η | 0.0004639 | Pa×s | 459.65 | Calculated Property |
| η | 0.0003387 | Pa×s | 488.01 | Calculated Property |
| η | 0.0002559 | Pa×s | 516.37 | Calculated Property |
| η | 0.0001991 | Pa×s | 544.72 | Calculated Property |
| η | 0.0001588 | Pa×s | 573.08 | Calculated Property |
| η | 0.0001294 | Pa×s | 601.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, tetradecyl ester.
Sources
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