- InChI
- InChI=1S/C32H62O2/c1-7-8-9-10-11-12-13-14-15-25-32(33)34-27-26-31(6)24-18-23-30(5)22-17-21-29(4)20-16-19-28(2)3/h26,28-30H,7-25,27H2,1-6H3/b31-26+
- InChI Key
- AGWFXWWNJHQGIB-GKPLWNPISA-N
- Formula
- C32H62O2
- SMILES
-
CCCCCCCCCCCC(=O)OCC=C(C)CCCC(C
)CCCC(C)CCCC(C)C - Molecular Weight1
- 478.83
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 1.1706 | Relay (... Calculated Property | |
| ΔfG° | 48.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1007.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 69.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.64 | kJ/mol | Relay (... Calculated Property |
| IE | 9.03 | eV | Relay (... Calculated Property |
| log10WS | -9.95 | Relay (... Calculated Property | |
| logPoct/wat | 10.836 | Crippen Calculated Property | |
| McVol | 464.880 | ml/mol | McGowan Calculated Property |
| Pc | 577.02 | kPa | Joback Calculated Property |
| Inp | [3160.70; 3160.70] |
|
|
| Inp | 3160.70 | NIST | |
| Inp | 3160.70 | NIST | |
| Tboil | 675.78 | K | Relay (... Calculated Property |
| Tc | 855.99 | K | Relay (... Calculated Property |
| Tfus | 258.87 | K | Relay (... Calculated Property |
| Vc | 1.728 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1655.69; 1788.66] | J/mol×K | [1010.57; 1255.38] |
|
| Cp,gas | 1655.69 | J/mol×K | 1010.57 | Joback Calculated Property |
| Cp,gas | 1682.10 | J/mol×K | 1051.37 | Joback Calculated Property |
| Cp,gas | 1706.62 | J/mol×K | 1092.17 | Joback Calculated Property |
| Cp,gas | 1729.39 | J/mol×K | 1132.98 | Joback Calculated Property |
| Cp,gas | 1750.56 | J/mol×K | 1173.78 | Joback Calculated Property |
| Cp,gas | 1770.27 | J/mol×K | 1214.58 | Joback Calculated Property |
| Cp,gas | 1788.66 | J/mol×K | 1255.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phytyl dodecanoate.
Sources
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