- InChI
- InChI=1S/C15H22O/c1-9-11-7-12-14(4,16-12)15(11)6-5-10(8-15)13(9,2)3/h10-12H,1,5-8H2,2-4H3/t10-,11?,12?,14-,15-/m0/s1
- InChI Key
- BPILZBUHCIZTTB-DNQAXRSOSA-N
- Formula
- C15H22O
- SMILES
-
C=C1C2CC3OC3(C)C23CCC(C3)C1(C)
C - Molecular Weight1
- 218.33
- 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 | 0.3435 | Relay (1.0) Calculated Property | |
| ΔfG° | 253.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.546 | Crippen Calculated Property | |
| McVol | 180.340 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Inp | 1551.00 | NIST | |
| Tboil | 529.38 | K | Relay (1.0) Calculated Property |
| Tc | 799.85 | K | Relay (1.0) Calculated Property |
| Tfus | 408.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.691 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.81; 630.44] | J/mol×K | [587.05; 818.53] | 
|
| Cp,gas | 518.81 | J/mol×K | 587.05 | Joback Calculated Property |
| Cp,gas | 539.52 | J/mol×K | 625.63 | Joback Calculated Property |
| Cp,gas | 558.76 | J/mol×K | 664.21 | Joback Calculated Property |
| Cp,gas | 577.00 | J/mol×K | 702.79 | Joback Calculated Property |
| Cp,gas | 594.71 | J/mol×K | 741.37 | Joback Calculated Property |
| Cp,gas | 612.37 | J/mol×K | 779.95 | Joback Calculated Property |
| Cp,gas | 630.44 | J/mol×K | 818.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12-nor-2,3-Epoxy-ziza-6(13)-ene.
Sources
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