- InChI
- InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-18-13-17/h7,9,11,13H,5-6,8,10,12H2,1-4H3/b15-9+,16-11+
- InChI Key
- KSBAOYWMHJTPQU-XGGJEREUSA-N
- Formula
- C16H26O2
- SMILES
- CC(C)=CCCC(C)=CCCC(C)=CCOC=O
- Molecular Weight1
- 250.38
- CAS
- 917105-98-7
- 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 | 0.5603 | Relay (... Calculated Property | |
| ΔfG° | 94.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.25 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.34 | kJ/mol | Relay (... Calculated Property |
| IE | 8.49 | eV | Relay (... Calculated Property |
| log10WS | -4.94 | Relay (... Calculated Property | |
| logPoct/wat | 4.579 | Crippen Calculated Property | |
| McVol | 230.840 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Inp | [1736.50; 1736.50] |
|
|
| Inp | 1736.50 | NIST | |
| Inp | 1736.50 | NIST | |
| Tboil | 565.86 | K | Relay (... Calculated Property |
| Tc | 728.12 | K | Relay (... Calculated Property |
| Tfus | 244.46 | K | Relay (... Calculated Property |
| Vc | 0.799 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.72; 701.47] | J/mol×K | [648.68; 836.41] |
|
| Cp,gas | 611.72 | J/mol×K | 648.68 | Joback Calculated Property |
| Cp,gas | 628.65 | J/mol×K | 679.97 | Joback Calculated Property |
| Cp,gas | 644.72 | J/mol×K | 711.26 | Joback Calculated Property |
| Cp,gas | 659.99 | J/mol×K | 742.54 | Joback Calculated Property |
| Cp,gas | 674.51 | J/mol×K | 773.83 | Joback Calculated Property |
| Cp,gas | 688.31 | J/mol×K | 805.12 | Joback Calculated Property |
| Cp,gas | 701.47 | J/mol×K | 836.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Farnesol formate.
Sources
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