- InChI
- InChI=1S/C14H17F7O2/c1-10(2)7-4-5-11(10,3)8(6-7)23-9(22)12(15,16)13(17,18)14(19,20)21/h7-8H,4-6H2,1-3H3
- InChI Key
- KOALQGAPEWNVJF-UHFFFAOYSA-N
- Formula
- C14H17F7O2
- SMILES
-
CC1(C)C2CCC1(C)C(OC(=O)C(F)(F)
C(F)(F)C(F)(F)F)C2 - Molecular Weight1
- 350.27
- Other Names
-
- Borneol, heptafluorobutanoate
- 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° | -1439.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1846.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.39 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 4.577 | Crippen Calculated Property | |
| McVol | 206.230 | ml/mol | McGowan Calculated Property |
| Pc | 1645.76 | kPa | Joback Calculated Property |
| Inp | [1198.00; 1198.00] |
|
|
| Inp | 1198.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Tboil | 590.10 | K | Joback Calculated Property |
| Tc | 770.09 | K | Joback Calculated Property |
| Tfus | 402.77 | K | Joback Calculated Property |
| Vc | 0.837 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.92; 691.21] | J/mol×K | [590.10; 770.09] |
|
| Cp,gas | 604.92 | J/mol×K | 590.10 | Joback Calculated Property |
| Cp,gas | 621.54 | J/mol×K | 620.10 | Joback Calculated Property |
| Cp,gas | 637.04 | J/mol×K | 650.10 | Joback Calculated Property |
| Cp,gas | 651.58 | J/mol×K | 680.10 | Joback Calculated Property |
| Cp,gas | 665.35 | J/mol×K | 710.10 | Joback Calculated Property |
| Cp,gas | 678.50 | J/mol×K | 740.09 | Joback Calculated Property |
| Cp,gas | 691.21 | J/mol×K | 770.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoborneol,heptafluorobutyrate (ester).
Sources
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