- InChI
- InChI=1S/C14H30/c1-9-11(13(3,4)5)12(10-2)14(6,7)8/h11-12H,9-10H2,1-8H3
- InChI Key
- FMTQAAHAQDKAMI-UHFFFAOYSA-N
- Formula
- C14H30
- SMILES
- CCC(C(CC)C(C)(C)C)C(C)(C)C
- Molecular Weight1
- 198.39
- CAS
- 112655-34-2
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 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 | 0.4245 | Relay (1.0) Calculated Property | |
| ΔfG° | 67.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.51 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -6.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.131 | Crippen Calculated Property | |
| McVol | 208.120 | ml/mol | McGowan Calculated Property |
| Pc | 1589.81 | kPa | Joback Calculated Property |
| Tboil | 493.17 | K | Relay (1.0) Calculated Property |
| Tc | 674.18 | K | Relay (1.0) Calculated Property |
| Tfus | 250.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.93; 745.61] | 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 | -6.21480e+01 | |||
| Coefficient B | 1.59736e+00 | |||
| Coefficient C | -1.08780e-03 | |||
| Coefficient D | 2.98200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 298.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 451.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 512.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 566.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 613.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 653.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 688.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 718.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 745.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0389132; 0.0001849] | Pa×s | [222.38; 488.05] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.30737e+01 | |||
| Coefficient B | 2.18540e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 222.38 | |||
| Temperature range, max. | 488.05 | |||
| η | 0.0389132 | Pa×s | 222.38 | Calculated Property |
| η | 0.0123014 | Pa×s | 251.90 | Calculated Property |
| η | 0.0049515 | Pa×s | 281.42 | Calculated Property |
| η | 0.0023689 | Pa×s | 310.94 | Calculated Property |
| η | 0.0012879 | Pa×s | 340.46 | Calculated Property |
| η | 0.0007717 | Pa×s | 369.97 | Calculated Property |
| η | 0.0004988 | Pa×s | 399.49 | Calculated Property |
| η | 0.0003423 | Pa×s | 429.01 | Calculated Property |
| η | 0.0002466 | Pa×s | 458.53 | Calculated Property |
| η | 0.0001849 | Pa×s | 488.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3,4-diethyl-2,2,5,5-tetramethyl-, (R*,R*)-(+/-)-.
Sources
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