![Ethyl (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl carbonate](/cid/55-295-4/Ethyl-1R-4S-1-7-7-trimethylbicyclo-2-2-1-heptan-2-yl-carbonate.png "Ethyl (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl carbonate")
- InChI
- InChI=1S/C13H22O3/c1-5-15-11(14)16-10-8-9-6-7-13(10,4)12(9,2)3/h9-10H,5-8H2,1-4H3
- InChI Key
- LIQVUHGCRXJZDF-UHFFFAOYSA-N
- Formula
- C13H22O3
- SMILES
- CCOC(=O)OC1CC2CCC1(C)C2(C)C
- Molecular Weight1
- 226.31
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -197.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.18 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 3.374 | Crippen Calculated Property | |
| McVol | 185.620 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | [1461.00; 1461.00] |
|
|
| Inp | 1461.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Tboil | 604.44 | K | Joback Calculated Property |
| Tc | 814.19 | K | Joback Calculated Property |
| Tfus | 402.34 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.21; 617.15] | J/mol×K | [604.44; 814.19] |
|
| Cp,gas | 516.21 | J/mol×K | 604.44 | Joback Calculated Property |
| Cp,gas | 534.76 | J/mol×K | 639.40 | Joback Calculated Property |
| Cp,gas | 552.36 | J/mol×K | 674.36 | Joback Calculated Property |
| Cp,gas | 569.22 | J/mol×K | 709.31 | Joback Calculated Property |
| Cp,gas | 585.51 | J/mol×K | 744.27 | Joback Calculated Property |
| Cp,gas | 601.42 | J/mol×K | 779.23 | Joback Calculated Property |
| Cp,gas | 617.15 | J/mol×K | 814.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl carbonate.
Sources
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