- InChI
- InChI=1S/C11H6F14O4/c12-6(13,8(16,17)10(20,21)22)4(26)28-2-1-3-29-5(27)7(14,15)9(18,19)11(23,24)25/h1-3H2
- InChI Key
- GHMHMCMIEVQLKF-UHFFFAOYSA-N
- Formula
- C11H6F14O4
- SMILES
-
O=C(OCCCOC(=O)C(F)(F)C(F)(F)C(
F)(F)F)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 468.14
- 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 | 0.7272 | Relay (1.0) Calculated Property | |
| ΔfG° | -3136.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3655.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.129 | Crippen Calculated Property | |
| McVol | 205.510 | ml/mol | McGowan Calculated Property |
| Pc | 1373.78 | kPa | Joback Calculated Property |
| Inp | [968.00; 968.00] |
|
|
| Inp | 968.00 | NIST | |
| Inp | 968.00 | NIST | |
| Tboil | 454.12 | K | Relay (1.0) Calculated Property |
| Tc | 575.98 | K | Relay (1.0) Calculated Property |
| Tfus | 297.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.827 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.25; 652.43] | J/mol×K | [574.06; 715.55] |
|
| Cp,gas | 598.25 | J/mol×K | 574.06 | Joback Calculated Property |
| Cp,gas | 609.02 | J/mol×K | 597.64 | Joback Calculated Property |
| Cp,gas | 619.05 | J/mol×K | 621.22 | Joback Calculated Property |
| Cp,gas | 628.36 | J/mol×K | 644.81 | Joback Calculated Property |
| Cp,gas | 637.01 | J/mol×K | 668.39 | Joback Calculated Property |
| Cp,gas | 645.01 | J/mol×K | 691.97 | Joback Calculated Property |
| Cp,gas | 652.43 | J/mol×K | 715.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, bis(heptafluorobutyrate).
Sources
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