- InChI
- InChI=1S/C14H18O2/c1-8(2)9-6-11-10-4-5-14(11,3)16-12(7-9)13(10)15/h12H,4-7H2,1-3H3/t12?,14-/m0/s1
- InChI Key
- ARIDDJHZLBMHHP-PYMCNQPYSA-N
- Formula
- C14H18O2
- SMILES
-
CC(C)=C1CC2=C3CCC2(C)OC(C1)C3=
O - Molecular Weight1
- 218.29
- 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 | 0.4044 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.934 | Crippen Calculated Property | |
| McVol | 174.380 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [1614.00; 1619.00] |
|
|
| Inp | 1619.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1614.00 | NIST | |
| Inp | 1619.00 | NIST | |
| Tboil | 545.94 | K | Relay (1.0) Calculated Property |
| Tc | 819.53 | K | Relay (1.0) Calculated Property |
| Tfus | 448.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.12; 595.35] | J/mol×K | [663.80; 906.68] |
|
| Cp,gas | 497.12 | J/mol×K | 663.80 | Joback Calculated Property |
| Cp,gas | 515.10 | J/mol×K | 704.28 | Joback Calculated Property |
| Cp,gas | 532.15 | J/mol×K | 744.76 | Joback Calculated Property |
| Cp,gas | 548.47 | J/mol×K | 785.24 | Joback Calculated Property |
| Cp,gas | 564.30 | J/mol×K | 825.72 | Joback Calculated Property |
| Cp,gas | 579.85 | J/mol×K | 866.20 | Joback Calculated Property |
| Cp,gas | 595.35 | J/mol×K | 906.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Epoxy-nor-ketoguaiene.
Sources
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