- InChI
- InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(19)20-17-4-2/h4H,2-3,5-17H2,1H3
- InChI Key
- VDBFRTPHASGVDU-UHFFFAOYSA-N
- Formula
- C18H34O2
- SMILES
- C=CCOC(=O)CCCCCCCCCCCCCC
- Molecular Weight1
- 282.47
- 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 | 0.8614 | Relay (1.0) Calculated Property | |
| ΔfG° | -121.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.807 | Crippen Calculated Property | |
| McVol | 267.620 | ml/mol | McGowan Calculated Property |
| Pc | 1189.88 | kPa | Joback Calculated Property |
| Inp | [1853.00; 1853.00] |
|
|
| Inp | 1853.00 | NIST | |
| Inp | 1853.00 | NIST | |
| Tboil | 594.71 | K | Relay (1.0) Calculated Property |
| Tc | 767.40 | K | Relay (1.0) Calculated Property |
| Tfus | 272.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.016 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.86; 927.56] | 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 | 8.94400e+00 | |||
| Coefficient B | 1.63902e+00 | |||
| Coefficient C | -8.83700e-04 | |||
| Coefficient D | 1.63300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 393.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 485.42 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 567.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 641.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 706.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 764.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 814.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 858.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 895.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 927.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029742; 0.0001482] | Pa×s | [333.19; 583.40] |
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 | -1.28104e+01 | |||
| Coefficient B | 2.32988e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 333.19 | |||
| Temperature range, max. | 583.40 | |||
| η | 0.0029742 | Pa×s | 333.19 | Calculated Property |
| η | 0.0017357 | Pa×s | 360.99 | Calculated Property |
| η | 0.0010941 | Pa×s | 388.79 | Calculated Property |
| η | 0.0007335 | Pa×s | 416.59 | Calculated Property |
| η | 0.0005169 | Pa×s | 444.40 | Calculated Property |
| η | 0.0003796 | Pa×s | 472.20 | Calculated Property |
| η | 0.0002885 | Pa×s | 500.00 | Calculated Property |
| η | 0.0002257 | Pa×s | 527.80 | Calculated Property |
| η | 0.0001810 | Pa×s | 555.60 | Calculated Property |
| η | 0.0001482 | Pa×s | 583.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl pentadecanoate.
Sources
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