- InChI
- InChI=1S/C20H42/c1-5-8-10-12-13-14-17-19(4)20(16-7-3)18-15-11-9-6-2/h19-20H,5-18H2,1-4H3
- InChI Key
- DKPHIDSGJRMYHT-UHFFFAOYSA-N
- Formula
- C20H42
- SMILES
- CCCCCCCCC(C)C(CCC)CCCCCC
- Molecular Weight1
- 282.56
- 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 | 0.7594 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.760 | Crippen Calculated Property | |
| McVol | 292.660 | ml/mol | McGowan Calculated Property |
| Pc | 1025.97 | kPa | Joback Calculated Property |
| Inp | 1828.00 | NIST | |
| Tboil | 574.18 | K | Relay (1.0) Calculated Property |
| Tc | 746.49 | K | Relay (1.0) Calculated Property |
| Tfus | 236.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.108 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.13; 1052.22] | 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 | -1.86560e+01 | |||
| Coefficient B | 1.91568e+00 | |||
| Coefficient C | -1.07060e-03 | |||
| Coefficient D | 2.25800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 429.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 535.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 630.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 715.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 790.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 857.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 916.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 968.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1013.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1052.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0075349; 0.0001373] | Pa×s | [285.16; 574.11] |
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 | -1.28461e+01 | |||
| Coefficient B | 2.26928e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 285.16 | |||
| Temperature range, max. | 574.11 | |||
| η | 0.0075349 | Pa×s | 285.16 | Calculated Property |
| η | 0.0033678 | Pa×s | 317.27 | Calculated Property |
| η | 0.0017454 | Pa×s | 349.37 | Calculated Property |
| η | 0.0010104 | Pa×s | 381.48 | Calculated Property |
| η | 0.0006367 | Pa×s | 413.58 | Calculated Property |
| η | 0.0004288 | Pa×s | 445.69 | Calculated Property |
| η | 0.0003046 | Pa×s | 477.79 | Calculated Property |
| η | 0.0002258 | Pa×s | 509.90 | Calculated Property |
| η | 0.0001735 | Pa×s | 542.00 | Calculated Property |
| η | 0.0001373 | Pa×s | 574.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane, 8-methyl-7-propyl.
Sources
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