- InChI
- InChI=1S/C10H15F5O2/c1-3-5-6-7(4-2)17-8(16)9(11,12)10(13,14)15/h7H,3-6H2,1-2H3
- InChI Key
- HECFNHLGZSYGPY-UHFFFAOYSA-N
- Formula
- C10H15F5O2
- SMILES
- CCCCC(CC)OC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 262.22
- 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 | 0.5379 | Relay (1.0) Calculated Property | |
| ΔfG° | -1171.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1590.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 168.050 | ml/mol | McGowan Calculated Property |
| Pc | 1872.41 | kPa | Joback Calculated Property |
| Inp | [904.00; 904.00] |
|
|
| Inp | 904.00 | NIST | |
| Inp | 904.00 | NIST | |
| Tboil | 412.70 | K | Relay (1.0) Calculated Property |
| Tc | 533.80 | K | Relay (1.0) Calculated Property |
| Tfus | 199.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.96; 485.90] | J/mol×K | [493.94; 650.03] |
|
| Cp,gas | 414.96 | J/mol×K | 493.94 | Joback Calculated Property |
| Cp,gas | 428.34 | J/mol×K | 519.95 | Joback Calculated Property |
| Cp,gas | 441.07 | J/mol×K | 545.97 | Joback Calculated Property |
| Cp,gas | 453.17 | J/mol×K | 571.98 | Joback Calculated Property |
| Cp,gas | 464.66 | J/mol×K | 598.00 | Joback Calculated Property |
| Cp,gas | 475.56 | J/mol×K | 624.01 | Joback Calculated Property |
| Cp,gas | 485.90 | J/mol×K | 650.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptanol, pentafluoropropionate.
Sources
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