- InChI
- InChI=1S/C16H34/c1-5-9-11-14-15(8-4)16(12-7-3)13-10-6-2/h15-16H,5-14H2,1-4H3
- InChI Key
- CZTNCHRPXXZZQN-UHFFFAOYSA-N
- Formula
- C16H34
- SMILES
- CCCCCC(CC)C(CCC)CCCC
- Molecular Weight1
- 226.44
- 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).
- 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 | 0.6116 | Relay (1.0) Calculated Property | |
| ΔfG° | 78.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.199 | Crippen Calculated Property | |
| McVol | 236.300 | ml/mol | McGowan Calculated Property |
| Pc | 1333.93 | kPa | Joback Calculated Property |
| Inp | [1411.00; 1411.00] |
|
|
| Inp | 1411.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Tboil | 530.70 | K | Relay (1.0) Calculated Property |
| Tc | 699.20 | K | Relay (1.0) Calculated Property |
| Tfus | 207.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.872 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.27; 845.86] | 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 | -1.50200e+01 | |||
| Coefficient B | 1.53568e+00 | |||
| Coefficient C | -8.53000e-04 | |||
| Coefficient D | 1.78200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 344.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 429.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 505.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 574.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 635.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 688.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 736.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 777.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 814.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 845.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0124242; 0.0001914] | Pa×s | [240.08; 510.10] |
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 | -1.22715e+01 | |||
| Coefficient B | 1.89264e+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. | 240.08 | |||
| Temperature range, max. | 510.10 | |||
| η | 0.0124242 | Pa×s | 240.08 | Calculated Property |
| η | 0.0051754 | Pa×s | 270.08 | Calculated Property |
| η | 0.0025685 | Pa×s | 300.08 | Calculated Property |
| η | 0.0014478 | Pa×s | 330.09 | Calculated Property |
| η | 0.0008979 | Pa×s | 360.09 | Calculated Property |
| η | 0.0005993 | Pa×s | 390.09 | Calculated Property |
| η | 0.0004238 | Pa×s | 420.09 | Calculated Property |
| η | 0.0003139 | Pa×s | 450.09 | Calculated Property |
| η | 0.0002413 | Pa×s | 480.10 | Calculated Property |
| η | 0.0001914 | Pa×s | 510.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 6-ethyl-5-propyl.
Sources
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