- InChI
- InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-4-2/h4H,2-3,5-19H2,1H3
- InChI Key
- XDMYOMNKAQFDFX-UHFFFAOYSA-N
- Formula
- C20H38O2
- SMILES
- C=CCOC(=O)CCCCCCCCCCCCCCCC
- Molecular Weight1
- 310.51
- 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).
- 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 | 0.9315 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.587 | Crippen Calculated Property | |
| McVol | 295.800 | ml/mol | McGowan Calculated Property |
| Pc | 1046.65 | kPa | Joback Calculated Property |
| Inp | [2152.00; 2152.00] |
|
|
| Inp | 2152.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Tboil | 613.03 | K | Relay (1.0) Calculated Property |
| Tc | 784.26 | K | Relay (1.0) Calculated Property |
| Tfus | 283.19 | 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 | [436.29; 1030.75] | 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 | 7.12600e+00 | |||
| Coefficient B | 1.82902e+00 | |||
| Coefficient C | -9.92500e-04 | |||
| Coefficient D | 1.87100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 436.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 538.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 629.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 711.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 784.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 848.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 904.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 953.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 995.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1030.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023940; 0.0001196] | Pa×s | [355.73; 616.90] |
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 | -1.31137e+01 | |||
| Coefficient B | 2.51820e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 355.73 | |||
| Temperature range, max. | 616.90 | |||
| η | 0.0023940 | Pa×s | 355.73 | Calculated Property |
| η | 0.0014036 | Pa×s | 384.75 | Calculated Property |
| η | 0.0008870 | Pa×s | 413.77 | Calculated Property |
| η | 0.0005952 | Pa×s | 442.79 | Calculated Property |
| η | 0.0004195 | Pa×s | 471.80 | Calculated Property |
| η | 0.0003079 | Pa×s | 500.82 | Calculated Property |
| η | 0.0002338 | Pa×s | 529.84 | Calculated Property |
| η | 0.0001827 | Pa×s | 558.86 | Calculated Property |
| η | 0.0001462 | Pa×s | 587.88 | Calculated Property |
| η | 0.0001196 | Pa×s | 616.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Allyl heptadecanoate.
Sources
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