- InChI
- InChI=1S/C13H10F14O4/c1-5(4-31-7(29)9(16,17)11(20,21)13(25,26)27)2-3-30-6(28)8(14,15)10(18,19)12(22,23)24/h5H,2-4H2,1H3
- InChI Key
- DSSSASSXAGZFOT-UHFFFAOYSA-N
- Formula
- C13H10F14O4
- SMILES
-
CC(CCOC(=O)C(F)(F)C(F)(F)C(F)(
F)F)COC(=O)C(F)(F)C(F)(F)C(F)( F)F - Molecular Weight1
- 496.19
- 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 | 0.7504 | Relay (1.0) Calculated Property | |
| ΔfG° | -3122.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3719.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.765 | Crippen Calculated Property | |
| McVol | 233.690 | ml/mol | McGowan Calculated Property |
| Pc | 1203.96 | kPa | Joback Calculated Property |
| Inp | [1088.00; 1088.00] |
|
|
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Tboil | 475.74 | K | Relay (1.0) Calculated Property |
| Tc | 594.64 | K | Relay (1.0) Calculated Property |
| Tfus | 272.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.921 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [698.71; 757.78] | J/mol×K | [619.38; 765.91] |
|
| Cp,gas | 698.71 | J/mol×K | 619.38 | Joback Calculated Property |
| Cp,gas | 710.41 | J/mol×K | 643.80 | Joback Calculated Property |
| Cp,gas | 721.31 | J/mol×K | 668.22 | Joback Calculated Property |
| Cp,gas | 731.45 | J/mol×K | 692.64 | Joback Calculated Property |
| Cp,gas | 740.87 | J/mol×K | 717.06 | Joback Calculated Property |
| Cp,gas | 749.64 | J/mol×K | 741.49 | Joback Calculated Property |
| Cp,gas | 757.78 | J/mol×K | 765.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-1,4-butanediol, bis(heptafluorobutyrate).
Sources
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