- InChI
- InChI=1S/C15H22O/c1-10-5-6-12-11(2)13-7-8-14(3,4)15(12,9-10)16-13/h9,13H,5-8H2,1-4H3
- InChI Key
- HBZPFOFGXNILSW-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- CC1=CC23OC(CCC2(C)C)C(C)=C3CC1
- Molecular Weight1
- 218.33
- CAS
- 64825-84-9
- Other Names
-
- himachalene epoxide
- (4aS)-3,5,5,9-Tetramethyl-1,2,5,6,7,8-hexahydro-4a,8-epoxybenzo[7]annulene
- 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 | 0.3370 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -116.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.001 | Crippen Calculated Property | |
| McVol | 186.900 | ml/mol | McGowan Calculated Property |
| Pc | 2300.32 | kPa | Joback Calculated Property |
| Inp | [1571.00; 1609.00] |
|
|
| Inp | 1577.00 | NIST | |
| Inp | 1609.00 | NIST | |
| Inp | 1584.40 | NIST | |
| Inp | 1571.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1609.00 | NIST | |
| Inp | 1584.40 | NIST | |
| Inp | 1571.00 | NIST | |
| Tboil | 530.38 | K | Relay (1.0) Calculated Property |
| Tc | 769.04 | K | Relay (1.0) Calculated Property |
| Tfus | 321.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.41; 626.75] | J/mol×K | [616.32; 851.24] |
|
| Cp,gas | 517.41 | J/mol×K | 616.32 | Joback Calculated Property |
| Cp,gas | 537.44 | J/mol×K | 655.47 | Joback Calculated Property |
| Cp,gas | 556.31 | J/mol×K | 694.63 | Joback Calculated Property |
| Cp,gas | 574.36 | J/mol×K | 733.78 | Joback Calculated Property |
| Cp,gas | 591.90 | J/mol×K | 772.93 | Joback Calculated Property |
| Cp,gas | 609.25 | J/mol×K | 812.09 | Joback Calculated Property |
| Cp,gas | 626.75 | J/mol×K | 851.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to himachalene oxide.
Sources
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