![2-Oxabicyclo [4,4,0] dec-9-ene-1,3,7,7-tetramethyl](/cid/54-391-8/2-Oxabicyclo-4-4-0-dec-9-ene-1-3-7-7-tetramethyl.png "2-Oxabicyclo [4,4,0] dec-9-ene-1,3,7,7-tetramethyl")
- InChI
- InChI=1S/C13H22O/c1-9-7-11-5-6-13(3,4)8-12(11)10(2)14-9/h9-10H,5-8H2,1-4H3
- InChI Key
- TVUQNVIYEWKRIP-UHFFFAOYSA-N
- Formula
- C13H22O
- SMILES
- CC1CC2=C(CC(C)(C)CC2)C(C)O1
- Molecular Weight1
- 194.31
- 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 | 0.3253 | Relay (1.0) Calculated Property | |
| ΔfG° | 43.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 173.880 | ml/mol | McGowan Calculated Property |
| Pc | 2274.07 | kPa | Joback Calculated Property |
| Inp | [1275.00; 1275.00] |
|
|
| Inp | 1275.00 | NIST | |
| Inp | 1275.00 | NIST | |
| I | 1470.00 | NIST | |
| Tboil | 500.87 | K | Relay (1.0) Calculated Property |
| Tc | 711.73 | K | Relay (1.0) Calculated Property |
| Tfus | 300.30 | 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 | [452.84; 565.01] | J/mol×K | [559.04; 781.89] |
|
| Cp,gas | 452.84 | J/mol×K | 559.04 | Joback Calculated Property |
| Cp,gas | 474.34 | J/mol×K | 596.18 | Joback Calculated Property |
| Cp,gas | 494.54 | J/mol×K | 633.32 | Joback Calculated Property |
| Cp,gas | 513.57 | J/mol×K | 670.47 | Joback Calculated Property |
| Cp,gas | 531.57 | J/mol×K | 707.61 | Joback Calculated Property |
| Cp,gas | 548.67 | J/mol×K | 744.75 | Joback Calculated Property |
| Cp,gas | 565.01 | J/mol×K | 781.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Oxabicyclo [4,4,0] dec-9-ene-1,3,7,7-tetramethyl.
Sources
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