- InChI
- InChI=1S/C15H24O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-10,14,16H,5-8H2,1-4H3/t14?,15-/m0/s1
- InChI Key
- QQRRTCZOIIMRRM-LOACHALJSA-N
- Formula
- C15H24O
- SMILES
- CC1=CC2C(=C(C)CCC2(O)C(C)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 | 0.4910 | Relay (1.0) Calculated Property | |
| ΔfG° | 34.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | [1663.00; 1663.00] |
|
|
| Inp | 1663.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Tboil | 551.30 | K | Relay (1.0) Calculated Property |
| Tc | 772.72 | K | Relay (1.0) Calculated Property |
| Tfus | 314.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.40; 667.17] | J/mol×K | [678.40; 887.06] |
|
| Cp,gas | 570.40 | J/mol×K | 678.40 | Joback Calculated Property |
| Cp,gas | 588.20 | J/mol×K | 713.18 | Joback Calculated Property |
| Cp,gas | 605.16 | J/mol×K | 747.95 | Joback Calculated Property |
| Cp,gas | 621.42 | J/mol×K | 782.73 | Joback Calculated Property |
| Cp,gas | 637.10 | J/mol×K | 817.50 | Joback Calculated Property |
| Cp,gas | 652.30 | J/mol×K | 852.28 | Joback Calculated Property |
| Cp,gas | 667.17 | J/mol×K | 887.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cadina-4,1(10)-dien-7«beta»-ol.
Sources
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