- InChI
- InChI=1S/C16H27F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-14(22)15(17,18)16(19,20)21/h2-13H2,1H3
- InChI Key
- WGTROCTZHUYVJI-UHFFFAOYSA-N
- Formula
- C16H27F5O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(F)(F)C(F)
(F)F - Molecular Weight1
- 346.38
- CAS
- 959261-22-4
- Other Names
-
- Tridecyl pentafluoropropionate
- 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 | 0.8165 | Relay (1.0) Calculated Property | |
| ΔfG° | -1118.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1695.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.038 | Crippen Calculated Property | |
| McVol | 252.590 | ml/mol | McGowan Calculated Property |
| Pc | 1193.17 | kPa | Joback Calculated Property |
| Inp | [1533.00; 1534.50] |
|
|
| Inp | 1533.00 | NIST | |
| Inp | 1534.50 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1534.50 | NIST | |
| Tboil | 512.35 | K | Relay (1.0) Calculated Property |
| Tc | 630.76 | K | Relay (1.0) Calculated Property |
| Tfus | 265.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.966 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.36; 806.84] | J/mol×K | [631.66; 786.72] |
|
| Cp,gas | 720.36 | J/mol×K | 631.66 | Joback Calculated Property |
| Cp,gas | 736.59 | J/mol×K | 657.50 | Joback Calculated Property |
| Cp,gas | 752.06 | J/mol×K | 683.35 | Joback Calculated Property |
| Cp,gas | 766.79 | J/mol×K | 709.19 | Joback Calculated Property |
| Cp,gas | 780.81 | J/mol×K | 735.03 | Joback Calculated Property |
| Cp,gas | 794.15 | J/mol×K | 760.87 | Joback Calculated Property |
| Cp,gas | 806.84 | J/mol×K | 786.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluoropropionic acid, tridecyl ester.
Sources
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