![(1R,3S,4S)-1,3-Dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]oct-5-ene](/cid/71-186-7/1R-3S-4S-1-3-Dimethyl-3-4-methylpent-3-en-1-yl-2-oxabicyclo-2-2-2-oct-5-ene.png "(1R,3S,4S)-1,3-Dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]oct-5-ene")
- InChI
- InChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7,10,13H,5,8-9,11H2,1-4H3
- InChI Key
- VLUGOADEEDGFLB-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- CC(C)=CCCC1(C)OC2(C)C=CC1CC2
- Molecular Weight1
- 220.35
- CAS
- 211237-38-6
- 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.
- I : 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 | 0.3961 | Relay (1.0) Calculated Property | |
| ΔfG° | 169.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -224.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.247 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | 1473.30 | NIST | |
| I | [1727.00; 1727.00] |
|
|
| I | 1727.00 | NIST | |
| I | 1727.00 | NIST | |
| Tboil | 527.58 | K | Relay (1.0) Calculated Property |
| Tc | 749.22 | K | Relay (1.0) Calculated Property |
| Tfus | 278.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.24; 640.79] | J/mol×K | [590.58; 810.51] |
|
| Cp,gas | 531.24 | J/mol×K | 590.58 | Joback Calculated Property |
| Cp,gas | 551.82 | J/mol×K | 627.23 | Joback Calculated Property |
| Cp,gas | 571.11 | J/mol×K | 663.89 | Joback Calculated Property |
| Cp,gas | 589.38 | J/mol×K | 700.54 | Joback Calculated Property |
| Cp,gas | 606.90 | J/mol×K | 737.20 | Joback Calculated Property |
| Cp,gas | 623.95 | J/mol×K | 773.85 | Joback Calculated Property |
| Cp,gas | 640.79 | J/mol×K | 810.51 | Joback Calculated Property |
Similar Compounds
Sources
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