- InChI
- InChI=1S/C15H6F14O4/c1-5-6(32-8(30)10(16,17)12(20,21)14(24,25)26)3-2-4-7(5)33-9(31)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3
- InChI Key
- ADTUSTWHWGNYRH-UHFFFAOYSA-N
- Formula
- C15H6F14O4
- SMILES
-
Cc1c(OC(=O)C(F)(F)C(F)(F)C(F)(
F)F)cccc1OC(=O)C(F)(F)C(F)(F)C (F)(F)F - Molecular Weight1
- 516.18
- 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 | 0.7663 | Relay (1.0) Calculated Property | |
| ΔfG° | -3009.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3565.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.472 | Crippen Calculated Property | |
| McVol | 238.110 | ml/mol | McGowan Calculated Property |
| Pc | 1293.00 | kPa | Joback Calculated Property |
| Inp | [1181.00; 1181.00] |
|
|
| Inp | 1181.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Tboil | 514.41 | K | Relay (1.0) Calculated Property |
| Tc | 678.27 | K | Relay (1.0) Calculated Property |
| Tfus | 343.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.924 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [718.75; 766.98] | J/mol×K | [702.22; 869.46] |
|
| Cp,gas | 718.75 | J/mol×K | 702.22 | Joback Calculated Property |
| Cp,gas | 728.66 | J/mol×K | 730.09 | Joback Calculated Property |
| Cp,gas | 737.73 | J/mol×K | 757.97 | Joback Calculated Property |
| Cp,gas | 746.03 | J/mol×K | 785.84 | Joback Calculated Property |
| Cp,gas | 753.63 | J/mol×K | 813.72 | Joback Calculated Property |
| Cp,gas | 760.59 | J/mol×K | 841.59 | Joback Calculated Property |
| Cp,gas | 766.98 | J/mol×K | 869.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylresorcinol, bis(heptafluorobutyrate).
Sources
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