- InChI
- InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,12,15H,5-6,8,10-11H2,1-4H3/b14-9+
- InChI Key
- ITBYWGRSPHMAEE-NTEUORMPSA-N
- Formula
- C15H26O
- SMILES
- CC(C)=CCCC(C)=CCCC(C)CC=O
- Molecular Weight1
- 222.37
- 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° | 116.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 4.684 | Crippen Calculated Property | |
| McVol | 215.180 | ml/mol | McGowan Calculated Property |
| Pc | 1649.77 | kPa | Joback Calculated Property |
| Inp | [1595.00; 1595.00] |
|
|
| Inp | 1595.00 | NIST | |
| Inp | 1595.00 | NIST | |
| Tboil | 598.90 | K | Joback Calculated Property |
| Tc | 783.10 | K | Joback Calculated Property |
| Tfus | 247.73 | K | Joback Calculated Property |
| Vc | 0.849 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.05; 643.27] | J/mol×K | [598.90; 783.10] |
|
| Cp,gas | 551.05 | J/mol×K | 598.90 | Joback Calculated Property |
| Cp,gas | 568.45 | J/mol×K | 629.60 | Joback Calculated Property |
| Cp,gas | 584.98 | J/mol×K | 660.30 | Joback Calculated Property |
| Cp,gas | 600.68 | J/mol×K | 691.00 | Joback Calculated Property |
| Cp,gas | 615.60 | J/mol×K | 721.70 | Joback Calculated Property |
| Cp,gas | 629.78 | J/mol×K | 752.40 | Joback Calculated Property |
| Cp,gas | 643.27 | J/mol×K | 783.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2,3-Dihydrofarnesal.
Sources
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