- InChI
- InChI=1S/C18H38/c1-5-9-12-16-17(13-8-4)18(14-10-6-2)15-11-7-3/h17-18H,5-16H2,1-4H3
- InChI Key
- JDWBYRZBVKELQJ-UHFFFAOYSA-N
- Formula
- C18H38
- SMILES
- CCCCCC(CCC)C(CCCC)CCCC
- Molecular Weight1
- 254.49
- 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 | 0.6779 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.980 | Crippen Calculated Property | |
| McVol | 264.480 | ml/mol | McGowan Calculated Property |
| Pc | 1164.84 | kPa | Joback Calculated Property |
| Inp | [1550.00; 1550.00] |
|
|
| Inp | 1550.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Tboil | 553.73 | K | Relay (1.0) Calculated Property |
| Tc | 720.40 | K | Relay (1.0) Calculated Property |
| Tfus | 211.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.70; 949.04] | 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 | -1.68380e+01 | |||
| Coefficient B | 1.72568e+00 | |||
| Coefficient C | -9.61800e-04 | |||
| Coefficient D | 2.02000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 386.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 482.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 568.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 644.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 712.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 773.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 826.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 872.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 913.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 949.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0097660; 0.0001648] | Pa×s | [262.62; 541.63] |
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 | -1.25527e+01 | |||
| Coefficient B | 2.08096e+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. | 262.62 | |||
| Temperature range, max. | 541.63 | |||
| η | 0.0097660 | Pa×s | 262.62 | Calculated Property |
| η | 0.0042304 | Pa×s | 293.62 | Calculated Property |
| η | 0.0021500 | Pa×s | 324.62 | Calculated Property |
| η | 0.0012295 | Pa×s | 355.62 | Calculated Property |
| η | 0.0007691 | Pa×s | 386.62 | Calculated Property |
| η | 0.0005158 | Pa×s | 417.63 | Calculated Property |
| η | 0.0003655 | Pa×s | 448.63 | Calculated Property |
| η | 0.0002708 | Pa×s | 479.63 | Calculated Property |
| η | 0.0002081 | Pa×s | 510.63 | Calculated Property |
| η | 0.0001648 | Pa×s | 541.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 5-butyl-6-propyl.
Sources
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