- InChI
- InChI=1S/C19H36O2/c1-3-5-7-9-11-12-13-15-17-19(20)21-18-16-14-10-8-6-4-2/h3H,1,4-18H2,2H3
- InChI Key
- PKLGTKSKHJFCIX-UHFFFAOYSA-N
- Formula
- C19H36O2
- SMILES
- C=CCCCCCCCCC(=O)OCCCCCCCC
- Molecular Weight1
- 296.49
- CAS
- 28080-85-5
- 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 | 0.8931 | Relay (1.0) Calculated Property | |
| ΔfG° | -113.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.197 | Crippen Calculated Property | |
| McVol | 281.710 | ml/mol | McGowan Calculated Property |
| Pc | 1114.82 | kPa | Joback Calculated Property |
| Tboil | 609.55 | K | Relay (1.0) Calculated Property |
| Tc | 775.10 | K | Relay (1.0) Calculated Property |
| Tfus | 271.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.071 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.07; 979.15] | 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 | 8.03500e+00 | |||
| Coefficient B | 1.73402e+00 | |||
| Coefficient C | -9.38100e-04 | |||
| Coefficient D | 1.75200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 415.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 511.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 598.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 676.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 745.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 806.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 859.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 905.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 945.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 979.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026751; 0.0001336] | Pa×s | [344.46; 599.97] |
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 | -1.29610e+01 | |||
| Coefficient B | 2.42404e+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. | 344.46 | |||
| Temperature range, max. | 599.97 | |||
| η | 0.0026751 | Pa×s | 344.46 | Calculated Property |
| η | 0.0015654 | Pa×s | 372.85 | Calculated Property |
| η | 0.0009882 | Pa×s | 401.24 | Calculated Property |
| η | 0.0006629 | Pa×s | 429.63 | Calculated Property |
| η | 0.0004673 | Pa×s | 458.02 | Calculated Property |
| η | 0.0003431 | Pa×s | 486.41 | Calculated Property |
| η | 0.0002607 | Pa×s | 514.80 | Calculated Property |
| η | 0.0002038 | Pa×s | 543.19 | Calculated Property |
| η | 0.0001633 | Pa×s | 571.58 | Calculated Property |
| η | 0.0001336 | Pa×s | 599.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 10-Undecenoic acid, octyl ester.
Sources
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