- InChI
- InChI=1S/C20H34O2/c1-16(2)9-7-10-18(5)11-8-12-19(6)13-14-22-20(21)15-17(3)4/h9,11,13,17H,7-8,10,12,14-15H2,1-6H3/b18-11+,19-13+
- InChI Key
- BZQKWZWRJMKCNP-NWLVNBMCSA-N
- Formula
- C20H34O2
- SMILES
-
CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)
CC(C)C - Molecular Weight1
- 306.48
- 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 | 0.6587 | Relay (... Calculated Property | |
| ΔfG° | 96.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.20 | eV | Relay (... Calculated Property |
| log10WS | -5.61 | Relay (... Calculated Property | |
| logPoct/wat | 5.995 | Crippen Calculated Property | |
| McVol | 287.200 | ml/mol | McGowan Calculated Property |
| Pc | 1178.47 | kPa | Joback Calculated Property |
| Inp | [2040.00; 2058.00] |
|
|
| Inp | 2040.00 | NIST | |
| Inp | 2058.00 | NIST | |
| Inp | 2040.00 | NIST | |
| Tboil | 569.47 | K | Relay (... Calculated Property |
| Tc | 759.88 | K | Relay (... Calculated Property |
| Tfus | 231.21 | K | Relay (... Calculated Property |
| Vc | 1.013 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [837.99; 938.05] | J/mol×K | [744.97; 934.31] |
|
| Cp,gas | 837.99 | J/mol×K | 744.97 | Joback Calculated Property |
| Cp,gas | 856.83 | J/mol×K | 776.53 | Joback Calculated Property |
| Cp,gas | 874.73 | J/mol×K | 808.08 | Joback Calculated Property |
| Cp,gas | 891.74 | J/mol×K | 839.64 | Joback Calculated Property |
| Cp,gas | 907.93 | J/mol×K | 871.20 | Joback Calculated Property |
| Cp,gas | 923.34 | J/mol×K | 902.76 | Joback Calculated Property |
| Cp,gas | 938.05 | J/mol×K | 934.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ( E, E)-farnesyl 3-methylbutanoate.
Sources
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