- InChI
- InChI=1S/C22H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-4-2/h4H,2-3,5-21H2,1H3
- InChI Key
- LHDOSLHSKWMXST-UHFFFAOYSA-N
- Formula
- C22H42O2
- SMILES
- C=CCOC(=O)CCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 338.57
- 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 | 1.0017 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.367 | Crippen Calculated Property | |
| McVol | 323.980 | ml/mol | McGowan Calculated Property |
| Pc | 951.42 | kPa | Joback Calculated Property |
| Inp | 2351.00 | NIST | |
| Tboil | 627.73 | K | Relay (1.0) Calculated Property |
| Tc | 796.28 | K | Relay (1.0) Calculated Property |
| Tfus | 295.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.239 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.44; 1110.33] | J/mol×K | [775.73; 952.53] | 
|
| Cp,gas | 1004.44 | J/mol×K | 775.73 | Joback Calculated Property |
| Cp,gas | 1024.48 | J/mol×K | 805.20 | Joback Calculated Property |
| Cp,gas | 1043.51 | J/mol×K | 834.66 | Joback Calculated Property |
| Cp,gas | 1061.58 | J/mol×K | 864.13 | Joback Calculated Property |
| Cp,gas | 1078.72 | J/mol×K | 893.60 | Joback Calculated Property |
| Cp,gas | 1094.96 | J/mol×K | 923.07 | Joback Calculated Property |
| Cp,gas | 1110.33 | J/mol×K | 952.53 | Joback Calculated Property |
| η | [0.0000592; 0.0013391] | Pa×s | [408.10; 775.73] |
|
| η | 0.0013391 | Pa×s | 408.10 | Joback Calculated Property |
| η | 0.0005673 | Pa×s | 469.37 | Joback Calculated Property |
| η | 0.0002930 | Pa×s | 530.64 | Joback Calculated Property |
| η | 0.0001736 | Pa×s | 591.91 | Joback Calculated Property |
| η | 0.0001134 | Pa×s | 653.19 | Joback Calculated Property |
| η | 0.0000797 | Pa×s | 714.46 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 775.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl nonadecanoate.
Sources
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