- InChI
- InChI=1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3
- InChI Key
- PEWOESYEGLBLNR-UHFFFAOYSA-N
- Formula
- C14H15F7O2
- SMILES
-
CC12CCC(C(C(=O)C(F)(F)C(F)(F)C
(F)(F)F)C1=O)C2(C)C - Molecular Weight1
- 348.26
- CAS
- 51800-99-8
- Other Names
-
- 3-(Heptafluorobutyryl)-D-camphor
- Bicyclo[2.2.1]heptan-2-one, 3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1,7,7-trimethyl-, (1R)-
- 3-Heptafluorobutyryl-(+)-camphor
- (1R)-3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -1456.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1852.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 4.030 | Crippen Calculated Property | |
| McVol | 201.930 | ml/mol | McGowan Calculated Property |
| Pc | 1717.45 | kPa | Joback Calculated Property |
| Tboil | 635.50 | K | Joback Calculated Property |
| Tc | 828.57 | K | Joback Calculated Property |
| Tfus | 448.76 | K | Joback Calculated Property |
| Vc | 0.826 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.54; 697.41] | J/mol×K | [635.50; 828.57] | 
|
| Cp,gas | 612.54 | J/mol×K | 635.50 | Joback Calculated Property |
| Cp,gas | 628.39 | J/mol×K | 667.68 | Joback Calculated Property |
| Cp,gas | 643.29 | J/mol×K | 699.86 | Joback Calculated Property |
| Cp,gas | 657.45 | J/mol×K | 732.03 | Joback Calculated Property |
| Cp,gas | 671.05 | J/mol×K | 764.21 | Joback Calculated Property |
| Cp,gas | 684.30 | J/mol×K | 796.39 | Joback Calculated Property |
| Cp,gas | 697.41 | J/mol×K | 828.57 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 338.20 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to 3-Heptafluorobutyryl-«delta»-camphor.
Sources
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