- InChI
- InChI=1S/C15H26O/c1-12(2)7-5-9-15(4)10-6-8-13(3)14(15)11-16/h7,11,13-14H,5-6,8-10H2,1-4H3/t13-,14-,15-/m1/s1
- InChI Key
- VWOHYEGRTUNEJL-RBSFLKMASA-N
- Formula
- C15H26O
- SMILES
- CC(C)=CCCC1(C)CCCC(C)C1C=O
- Molecular Weight1
- 222.37
- 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 | 0.4217 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.374 | Crippen Calculated Property | |
| McVol | 208.620 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| Inp | [1614.00; 1614.00] |
|
|
| Inp | 1614.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Tboil | 555.89 | K | Relay (1.0) Calculated Property |
| Tc | 757.26 | K | Relay (1.0) Calculated Property |
| Tfus | 277.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.18; 675.47] | J/mol×K | [605.75; 812.64] |
|
| Cp,gas | 563.18 | J/mol×K | 605.75 | Joback Calculated Property |
| Cp,gas | 584.36 | J/mol×K | 640.23 | Joback Calculated Property |
| Cp,gas | 604.41 | J/mol×K | 674.71 | Joback Calculated Property |
| Cp,gas | 623.43 | J/mol×K | 709.19 | Joback Calculated Property |
| Cp,gas | 641.53 | J/mol×K | 743.68 | Joback Calculated Property |
| Cp,gas | 658.84 | J/mol×K | 778.16 | Joback Calculated Property |
| Cp,gas | 675.47 | J/mol×K | 812.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-(4S,5R,10R)-6,7-seco-Eudesm-7(11)-en-6-al.
Sources
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