![exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate](/cid/89-811-3/exo-1-7-7-trimethylbicyclo-2-2-1-hept-2-yl-isobutyrate.png "exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate")
- InChI
- InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m0/s1
- InChI Key
- KRKIAJBQOUBNSE-COPLHBTASA-N
- Formula
- C14H24O2
- SMILES
- CC(C)C(=O)OC1CC2CCC1(C)C2(C)C
- Molecular Weight1
- 224.34
- CAS
- 85586-67-0
- Other Names
-
- (1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl isobutyrate
- 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 | 0.4699 | Relay (... Calculated Property | |
| ΔfG° | -86.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.15 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.18 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -3.50 | Relay (... Calculated Property | |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| McVol | 193.840 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Inp | [1418.20; 1418.20] |
|
|
| Inp | 1418.20 | NIST | |
| Inp | 1418.20 | NIST | |
| I | [1641.00; 1641.00] |
|
|
| I | 1641.00 | NIST | |
| I | 1641.00 | NIST | |
| Tboil | 505.72 | K | Relay (... Calculated Property |
| Tc | 758.22 | K | Relay (... Calculated Property |
| Tfus | 360.41 | K | Relay (... Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.35; 648.14] | J/mol×K | [604.46; 817.37] |
|
| Cp,gas | 540.35 | J/mol×K | 604.46 | Joback Calculated Property |
| Cp,gas | 560.28 | J/mol×K | 639.94 | Joback Calculated Property |
| Cp,gas | 579.13 | J/mol×K | 675.43 | Joback Calculated Property |
| Cp,gas | 597.14 | J/mol×K | 710.91 | Joback Calculated Property |
| Cp,gas | 614.49 | J/mol×K | 746.40 | Joback Calculated Property |
| Cp,gas | 631.42 | J/mol×K | 781.88 | Joback Calculated Property |
| Cp,gas | 648.14 | J/mol×K | 817.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl isobutyrate.
Sources
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