- InChI
- InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15-/t18-,19-/m0/s1
- InChI Key
- BOTWFXYSPFMFNR-ITKMZDMZSA-N
- Formula
- C20H40O
- SMILES
- CC(=CCO)CCCC(C)CCCC(C)CCCC(C)C
- Molecular Weight1
- 296.53
- Other Names
-
- (Z)-Phytol
- 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).
- 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.
- I : 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° | 45.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.67 | kJ/mol | Joback Calculated Property |
| log10WS | -6.59 | Crippen Calculated Property | |
| logPoct/wat | 6.364 | Crippen Calculated Property | |
| McVol | 294.230 | ml/mol | McGowan Calculated Property |
| Pc | 1137.50 | kPa | Joback Calculated Property |
| Inp | [2086.00; 2114.00] |
|
|
| Inp | 2114.00 | NIST | |
| Inp | Outlier 2086.00 | NIST | |
| Inp | 2112.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Inp | 2112.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Inp | Outlier 2086.00 | NIST | |
| I | [2555.00; 2573.00] |
|
|
| I | 2570.00 | NIST | |
| I | 2573.00 | NIST | |
| I | 2555.00 | NIST | |
| I | 2570.00 | NIST | |
| I | 2570.00 | NIST | |
| I | 2555.00 | NIST | |
| Tboil | 751.90 | K | Joback Calculated Property |
| Tc | 926.94 | K | Joback Calculated Property |
| Tfus | 311.94 | K | Joback Calculated Property |
| Vc | 1.137 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [904.37; 1005.95] | J/mol×K | [751.90; 926.94] |
|
| Cp,gas | 904.37 | J/mol×K | 751.90 | Joback Calculated Property |
| Cp,gas | 923.39 | J/mol×K | 781.07 | Joback Calculated Property |
| Cp,gas | 941.52 | J/mol×K | 810.25 | Joback Calculated Property |
| Cp,gas | 958.79 | J/mol×K | 839.42 | Joback Calculated Property |
| Cp,gas | 975.26 | J/mol×K | 868.59 | Joback Calculated Property |
| Cp,gas | 990.97 | J/mol×K | 897.76 | Joback Calculated Property |
| Cp,gas | 1005.95 | J/mol×K | 926.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Phytol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.