- InChI
- InChI=1S/C16H34/c1-5-9-11-12-15-16(8-4,13-7-3)14-10-6-2/h5-15H2,1-4H3
- InChI Key
- MEBZNFSYULDMSV-UHFFFAOYSA-N
- Formula
- C16H34
- SMILES
- CCCCCCC(CC)(CCC)CCCC
- Molecular Weight1
- 226.45
- Other Names
-
- Butyl(ethyl)(hexyl)(propyl)methane
- 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).
- 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).
- 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 | 0.6035 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.344 | Crippen Calculated Property | |
| McVol | 236.300 | ml/mol | McGowan Calculated Property |
| Pc | 1336.86 | kPa | Joback Calculated Property |
| Tboil | 532.81 | K | Relay (1.0) Calculated Property |
| Tc | 704.20 | K | Relay (1.0) Calculated Property |
| Tfus | 198.00 ± 5.00 | K | NIST |
| Vc | 0.857 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.44; 846.25] | 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 | -3.61290e+01 | |||
| Coefficient B | 1.64968e+00 | |||
| Coefficient C | -1.01840e-03 | |||
| Coefficient D | 2.51100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 343.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 431.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 509.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 577.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 638.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 691.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 738.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 779.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 814.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 846.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1169664; 0.0002029] | Pa×s | [198.00; 509.94] |
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 | -1.25375e+01 | |||
| Coefficient B | 2.05754e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 198.00 | |||
| Temperature range, max. | 509.94 | |||
| η | 0.1169664 | Pa×s | 198.00 | Calculated Property |
| η | 0.0248734 | Pa×s | 232.66 | Calculated Property |
| η | 0.0079023 | Pa×s | 267.32 | Calculated Property |
| η | 0.0032665 | Pa×s | 301.98 | Calculated Property |
| η | 0.0016197 | Pa×s | 336.64 | Calculated Property |
| η | 0.0009155 | Pa×s | 371.30 | Calculated Property |
| η | 0.0005704 | Pa×s | 405.96 | Calculated Property |
| η | 0.0003828 | Pa×s | 440.62 | Calculated Property |
| η | 0.0002724 | Pa×s | 475.28 | Calculated Property |
| η | 0.0002029 | Pa×s | 509.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 5-ethyl-5-propyl-.
Sources
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