- InChI
- InChI=1S/C9H11F7O2/c1-5(2)3-4-18-6(17)7(10,11)8(12,13)9(14,15)16/h5H,3-4H2,1-2H3
- InChI Key
- AHKCGBGVCKMGEE-UHFFFAOYSA-N
- Formula
- C9H11F7O2
- SMILES
-
CC(C)CCOC(=O)C(F)(F)C(F)(F)C(F
)(F)F - Molecular Weight1
- 284.17
- 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 | 0.5186 | Relay (1.0) Calculated Property | |
| ΔfG° | -1566.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1968.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.409 | Crippen Calculated Property | |
| McVol | 157.500 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| Inp | [803.50; 803.50] |
|
|
| Inp | 803.50 | NIST | |
| Inp | 803.50 | NIST | |
| Tboil | 403.23 | K | Relay (1.0) Calculated Property |
| Tc | 525.30 | K | Relay (1.0) Calculated Property |
| Tfus | 198.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.58; 454.50] | J/mol×K | [466.37; 617.26] |
|
| Cp,gas | 388.58 | J/mol×K | 466.37 | Joback Calculated Property |
| Cp,gas | 401.20 | J/mol×K | 491.52 | Joback Calculated Property |
| Cp,gas | 413.14 | J/mol×K | 516.67 | Joback Calculated Property |
| Cp,gas | 424.41 | J/mol×K | 541.81 | Joback Calculated Property |
| Cp,gas | 435.04 | J/mol×K | 566.96 | Joback Calculated Property |
| Cp,gas | 445.06 | J/mol×K | 592.11 | Joback Calculated Property |
| Cp,gas | 454.50 | J/mol×K | 617.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-1-butanol, heptafluorobutyrate.
Sources
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