- 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° | -28.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.90 | 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 | 1074.98 | 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 | 781.31 | K | Relay (1.0) Calculated Property |
| Tfus | 286.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.126 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [883.13; 984.96] | J/mol×K | [729.97; 902.05] |
|
| Cp,gas | 883.13 | J/mol×K | 729.97 | Joback Calculated Property |
| Cp,gas | 902.27 | J/mol×K | 758.65 | Joback Calculated Property |
| Cp,gas | 920.50 | J/mol×K | 787.33 | Joback Calculated Property |
| Cp,gas | 937.86 | J/mol×K | 816.01 | Joback Calculated Property |
| Cp,gas | 954.38 | J/mol×K | 844.69 | Joback Calculated Property |
| Cp,gas | 970.07 | J/mol×K | 873.37 | Joback Calculated Property |
| Cp,gas | 984.96 | J/mol×K | 902.05 | Joback Calculated Property |
| η | [0.0000776; 0.0016482] | Pa×s | [385.56; 729.97] |
|
| η | 0.0016482 | Pa×s | 385.56 | Joback Calculated Property |
| η | 0.0007121 | Pa×s | 442.96 | Joback Calculated Property |
| η | 0.0003730 | Pa×s | 500.36 | Joback Calculated Property |
| η | 0.0002232 | Pa×s | 557.76 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 615.17 | Joback Calculated Property |
| η | 0.0001040 | Pa×s | 672.57 | Joback Calculated Property |
| η | 0.0000776 | Pa×s | 729.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl heptadecanoate.
Sources
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