- InChI
- InChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
- InChI Key
- YHYBNVZCQIDLSQ-UHFFFAOYSA-N
- Formula
- C12H25F
- SMILES
- CCCCCCCCCCCCF
- Molecular Weight1
- 188.33
- CAS
- 334-68-9
- Other Names
-
- 1-Fluorododecane
- Dodecyl fluoride
- n-Dodecyl fluoride
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.6263 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -7921.60 ± 0.59 | kJ/mol | NIST |
| ΔfG° | -144.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -489.22 ± 0.61 | kJ/mol | NIST |
| ΔfH°liquid | -553.19 ± 0.59 | kJ/mol | NIST |
| ΔfusH° | 29.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [63.97; 64.00] | kJ/mol |
|
| ΔvapH° | 63.97 ± 0.16 | kJ/mol | NIST |
| ΔvapH° | 64.00 ± 0.20 | kJ/mol | NIST |
| IE | 10.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.877 | Crippen Calculated Property | |
| McVol | 181.710 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Tboil | 492.68 | K | Relay (1.0) Calculated Property |
| Tc | 679.66 | K | Relay (1.0) Calculated Property |
| Tfus | 275.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.739 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 56.20 | kJ/mol | 453.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.25; 645.49] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.92900e+00 | |||
| Coefficient B | 1.15562e+00 | |||
| Coefficient C | -6.45400e-04 | |||
| Coefficient D | 1.37200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 268.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 332.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 389.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 440.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 486.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 527.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 562.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 594.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 621.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 645.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [373.52; 555.07] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.34438e+01 | |||
| Coefficient B | -3.86640e+03 | |||
| Coefficient C | -7.96360e+01 | |||
| Temperature range, min. | 373.52 | |||
| Temperature range, max. | 555.07 | |||
| Pvap | 1.33 | kPa | 373.52 | Calculated Property |
| Pvap | 3.10 | kPa | 393.69 | Calculated Property |
| Pvap | 6.53 | kPa | 413.86 | Calculated Property |
| Pvap | 12.61 | kPa | 434.04 | Calculated Property |
| Pvap | 22.68 | kPa | 454.21 | Calculated Property |
| Pvap | 38.44 | kPa | 474.38 | Calculated Property |
| Pvap | 61.89 | kPa | 494.55 | Calculated Property |
| Pvap | 95.33 | kPa | 514.73 | Calculated Property |
| Pvap | 141.33 | kPa | 534.90 | Calculated Property |
| Pvap | 202.64 | kPa | 555.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecane, 1-fluoro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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