- InChI
- InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h9-12,14H,4-8H2,1-3H3/t11-,12?,14?,15+/m0/s1
- InChI Key
- QSZPERKSHGCGQS-TYVCDUJCSA-N
- Formula
- C15H24O
- SMILES
- CC(C=O)C1=CC2C(C)CCCC2(C)CC1
- Molecular Weight1
- 220.35
- 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 | 0.3717 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -255.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.984 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| Inp | 1584.00 | NIST | |
| Tboil | 547.59 | K | Relay (1.0) Calculated Property |
| Tc | 778.92 | K | Relay (1.0) Calculated Property |
| Tfus | 324.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.664 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.34; 664.43] | J/mol×K | [621.09; 844.22] | 
|
| Cp,gas | 550.34 | J/mol×K | 621.09 | Joback Calculated Property |
| Cp,gas | 572.08 | J/mol×K | 658.28 | Joback Calculated Property |
| Cp,gas | 592.53 | J/mol×K | 695.47 | Joback Calculated Property |
| Cp,gas | 611.83 | J/mol×K | 732.66 | Joback Calculated Property |
| Cp,gas | 630.15 | J/mol×K | 769.84 | Joback Calculated Property |
| Cp,gas | 647.63 | J/mol×K | 807.03 | Joback Calculated Property |
| Cp,gas | 664.43 | J/mol×K | 844.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Eudesm-6-en-12-al.
Sources
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