![(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
- 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 | 0.4902 | Relay (... Calculated Property | |
| ΔfG° | -163.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -562.67 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.63 | eV | Relay (... Calculated Property |
| log10WS | -3.47 | Relay (... Calculated Property | |
| logPoct/wat | 3.152 | Crippen Calculated Property | |
| McVol | 181.320 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | 1499.00 | NIST | |
| Tboil | 534.37 | K | Relay (... Calculated Property |
| Tc | 754.46 | K | Relay (... Calculated Property |
| Tfus | 299.41 | K | Relay (... Calculated Property |
| Vc | 0.633 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.85; 587.09] | J/mol×K | [613.01; 818.04] | 
|
| Cp,gas | 495.85 | J/mol×K | 613.01 | Joback Calculated Property |
| Cp,gas | 512.89 | J/mol×K | 647.18 | Joback Calculated Property |
| Cp,gas | 529.06 | J/mol×K | 681.35 | Joback Calculated Property |
| Cp,gas | 544.45 | J/mol×K | 715.53 | Joback Calculated Property |
| Cp,gas | 559.19 | J/mol×K | 749.70 | Joback Calculated Property |
| Cp,gas | 573.36 | J/mol×K | 783.87 | Joback Calculated Property |
| Cp,gas | 587.09 | J/mol×K | 818.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ethyl carbonate.
Sources
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