- InChI
- InChI=1S/C22H42O2/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,18-20H,1,9-17H2,2-7H3
- InChI Key
- GKWIQRXSJFOVGL-UHFFFAOYSA-N
- Formula
- C22H42O2
- SMILES
-
C=CC(C)(CCCC(C)CCCC(C)CCCC(C)C
)OC(C)=O - Molecular Weight1
- 338.57
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -16.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -641.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.59 | kJ/mol | Joback Calculated Property |
| log10WS | -7.13 | Crippen Calculated Property | |
| logPoct/wat | 6.933 | Crippen Calculated Property | |
| McVol | 323.980 | ml/mol | McGowan Calculated Property |
| Pc | 977.17 | kPa | Joback Calculated Property |
| Inp | [2064.00; 2064.00] |
|
|
| Inp | 2064.00 | NIST | |
| Inp | 2064.00 | NIST | |
| Tboil | 771.18 | K | Joback Calculated Property |
| Tc | 954.22 | K | Joback Calculated Property |
| Tfus | 365.52 | K | Joback Calculated Property |
| Vc | 1.244 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1006.89; 1114.69] | J/mol×K | [771.18; 954.22] |
|
| Cp,gas | 1006.89 | J/mol×K | 771.18 | Joback Calculated Property |
| Cp,gas | 1027.43 | J/mol×K | 801.69 | Joback Calculated Property |
| Cp,gas | 1046.88 | J/mol×K | 832.19 | Joback Calculated Property |
| Cp,gas | 1065.29 | J/mol×K | 862.70 | Joback Calculated Property |
| Cp,gas | 1082.69 | J/mol×K | 893.21 | Joback Calculated Property |
| Cp,gas | 1099.14 | J/mol×K | 923.72 | Joback Calculated Property |
| Cp,gas | 1114.69 | J/mol×K | 954.22 | Joback Calculated Property |
| η | [0.0000375; 0.0029770] | Pa×s | [365.52; 771.18] |
|
| η | 0.0029770 | Pa×s | 365.52 | Joback Calculated Property |
| η | 0.0008131 | Pa×s | 433.13 | Joback Calculated Property |
| η | 0.0003153 | Pa×s | 500.74 | Joback Calculated Property |
| η | 0.0001532 | Pa×s | 568.35 | Joback Calculated Property |
| η | 0.0000867 | Pa×s | 635.96 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 703.57 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 771.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophytol, acetate.
Sources
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