- InChI
- InChI=1S/C13H20O/c1-5-6-7-10-12(2,3)11-8-9-13(10,4)14-11/h5-7,11H,8-9H2,1-4H3/b6-5+,10-7-
- InChI Key
- RRUCICKXWFEVIP-LXGGSRJLSA-N
- Formula
- C13H20O
- SMILES
- CC=CC=C1C2(C)CCC(O2)C1(C)C
- Molecular Weight1
- 192.30
- 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 | 0.3342 | Relay (... Calculated Property | |
| ΔfG° | 188.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.68 | kJ/mol | Relay (... Calculated Property |
| IE | 8.08 | eV | Relay (... Calculated Property |
| log10WS | -3.00 | Relay (... Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 169.580 | ml/mol | McGowan Calculated Property |
| Pc | 2374.90 | kPa | Joback Calculated Property |
| Inp | [1320.00; 1324.00] |
|
|
| Inp | 1324.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1324.00 | NIST | |
| Tboil | 491.18 | K | Relay (... Calculated Property |
| Tc | 723.57 | K | Relay (... Calculated Property |
| Tfus | 307.06 | K | Relay (... Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.03; 526.36] | J/mol×K | [548.15; 769.15] |
|
| Cp,gas | 430.03 | J/mol×K | 548.15 | Joback Calculated Property |
| Cp,gas | 448.63 | J/mol×K | 584.98 | Joback Calculated Property |
| Cp,gas | 465.85 | J/mol×K | 621.82 | Joback Calculated Property |
| Cp,gas | 481.96 | J/mol×K | 658.65 | Joback Calculated Property |
| Cp,gas | 497.23 | J/mol×K | 695.48 | Joback Calculated Property |
| Cp,gas | 511.93 | J/mol×K | 732.32 | Joback Calculated Property |
| Cp,gas | 526.36 | J/mol×K | 769.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-epoxy-megastigma-6(E),8(E)-diene.
Sources
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