- InChI
- InChI=1S/C15H24/c1-10(2)9-13-7-5-11(3)14-8-6-12(4)15(13)14/h9,11,13-14H,5-8H2,1-4H3
- InChI Key
- MZZFDMZYIBWOOA-UHFFFAOYSA-N
- Formula
- C15H24
- SMILES
- CC(C)=CC1CCC(C)C2CCC(C)=C12
- Molecular Weight1
- 204.35
- CAS
- 351222-66-7
- 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 | 0.3208 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.725 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | [1455.40; 1465.30] |
|
|
| Inp | 1465.30 | NIST | |
| Inp | 1456.00 | NIST | |
| Inp | 1455.40 | NIST | |
| Inp | 1465.30 | NIST | |
| Tboil | 541.89 | K | Relay (1.0) Calculated Property |
| Tc | 740.59 | K | Relay (1.0) Calculated Property |
| Tfus | 291.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.667 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.26; 617.88] | J/mol×K | [577.38; 792.00] |
|
| Cp,gas | 502.26 | J/mol×K | 577.38 | Joback Calculated Property |
| Cp,gas | 524.59 | J/mol×K | 613.15 | Joback Calculated Property |
| Cp,gas | 545.60 | J/mol×K | 648.92 | Joback Calculated Property |
| Cp,gas | 565.37 | J/mol×K | 684.69 | Joback Calculated Property |
| Cp,gas | 583.96 | J/mol×K | 720.46 | Joback Calculated Property |
| Cp,gas | 601.44 | J/mol×K | 756.23 | Joback Calculated Property |
| Cp,gas | 617.88 | J/mol×K | 792.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valerena-4,7(11)-diene.
Sources
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