![(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ethyl carbonate](/cid/34-991-4/6-6-Dimethylbicyclo-3-1-1-hept-2-en-2-yl-methyl-ethyl-carbonate.png "(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ethyl carbonate")
- InChI
- InChI=1S/C13H20O3/c1-4-15-12(14)16-8-9-5-6-10-7-11(9)13(10,2)3/h5,10-11H,4,6-8H2,1-3H3
- InChI Key
- FXUQWEPTCASLSK-UHFFFAOYSA-N
- Formula
- C13H20O3
- SMILES
- CCOC(=O)OCC1=CCC2CC1C2(C)C
- Molecular Weight1
- 224.30
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 24.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.152 | Crippen Calculated Property | |
| McVol | 181.320 | ml/mol | McGowan Calculated Property |
| Inp | 1499.00 | NIST | |
| Tboil | 534.37 | K | Relay (1.0) Calculated Property |
| Tfus | 290.26 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.64; 657.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.55980e+01 | |||
| Coefficient B | 1.56296e+00 | |||
| Coefficient C | -1.26924e-03 | |||
| Coefficient D | 4.49400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 255.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 328.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 390.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 444.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 490.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 530.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 565.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 597.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 627.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 657.52 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ethyl carbonate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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