- InChI
- InChI=1S/C16H28O/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-5/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
- InChI Key
- HZDZRGKULMGCJE-NCZFFCEISA-N
- Formula
- C16H28O
- SMILES
- COCC=C(C)CCC=C(C)CCC=C(C)C
- Molecular Weight1
- 236.39
- 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.
- 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° | 193.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 5.052 | Crippen Calculated Property | |
| McVol | 229.270 | ml/mol | McGowan Calculated Property |
| Pc | 1479.29 | kPa | Joback Calculated Property |
| Inp | 1683.90 | NIST | |
| Tboil | 600.02 | K | Joback Calculated Property |
| Tc | 784.01 | K | Joback Calculated Property |
| Tfus | 235.19 | K | Joback Calculated Property |
| Vc | 0.892 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.43; 684.39] | J/mol×K | [600.02; 784.01] | 
|
| Cp,gas | 585.43 | J/mol×K | 600.02 | Joback Calculated Property |
| Cp,gas | 604.02 | J/mol×K | 630.68 | Joback Calculated Property |
| Cp,gas | 621.71 | J/mol×K | 661.35 | Joback Calculated Property |
| Cp,gas | 638.54 | J/mol×K | 692.01 | Joback Calculated Property |
| Cp,gas | 654.57 | J/mol×K | 722.68 | Joback Calculated Property |
| Cp,gas | 669.84 | J/mol×K | 753.34 | Joback Calculated Property |
| Cp,gas | 684.39 | J/mol×K | 784.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Farnesol (E), methyl ether.
Sources
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