- InChI
- InChI=1S/C20H42/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-20(3)18-7-5-2/h20H,4-19H2,1-3H3
- InChI Key
- ZFWCHSBHHWYGCK-UHFFFAOYSA-N
- Formula
- C20H42
- SMILES
- CCCCCCCCCCCCCCC(C)CCCC
- Molecular Weight1
- 282.55
- CAS
- 57160-72-2
- Other Names
-
- Hexadecane, 2-butyl
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | 0.8164 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.904 | Crippen Calculated Property | |
| McVol | 292.660 | ml/mol | McGowan Calculated Property |
| Pc | 1020.73 | kPa | Joback Calculated Property |
| Tboil | 575.50 | K | Relay (1.0) Calculated Property |
| Tc | 746.79 | K | Relay (1.0) Calculated Property |
| Tfus | 266.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.154 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 69.10 | kJ/mol | 535.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.44; 1051.69] | 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 | -1.69740e+01 | |||
| Coefficient B | 1.90976e+00 | |||
| Coefficient C | -1.06740e-03 | |||
| Coefficient D | 2.26300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 429.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 535.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 629.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 714.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 790.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 856.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 915.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 967.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1012.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1051.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051032; 0.0001479] | Pa×s | [300.16; 573.18] |
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 | -1.27121e+01 | |||
| Coefficient B | 2.23146e+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. | 300.16 | |||
| Temperature range, max. | 573.18 | |||
| η | 0.0051032 | Pa×s | 300.16 | Calculated Property |
| η | 0.0025792 | Pa×s | 330.50 | Calculated Property |
| η | 0.0014621 | Pa×s | 360.83 | Calculated Property |
| η | 0.0009051 | Pa×s | 391.17 | Calculated Property |
| η | 0.0006003 | Pa×s | 421.50 | Calculated Property |
| η | 0.0004207 | Pa×s | 451.84 | Calculated Property |
| η | 0.0003084 | Pa×s | 482.18 | Calculated Property |
| η | 0.0002345 | Pa×s | 512.51 | Calculated Property |
| η | 0.0001838 | Pa×s | 542.85 | Calculated Property |
| η | 0.0001479 | Pa×s | 573.18 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [462.28; 641.83] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.82211e+01 | |||
| Coefficient B | -8.27437e+03 | |||
| Coefficient C | -8.86000e-01 | |||
| Temperature range, min. | 462.28 | |||
| Temperature range, max. | 641.83 | |||
| Pvap | 1.33 | kPa | 462.28 | Calculated Property |
| Pvap | 2.80 | kPa | 482.23 | Calculated Property |
| Pvap | 5.56 | kPa | 502.18 | Calculated Property |
| Pvap | 10.45 | kPa | 522.13 | Calculated Property |
| Pvap | 18.77 | kPa | 542.08 | Calculated Property |
| Pvap | 32.32 | kPa | 562.03 | Calculated Property |
| Pvap | 53.61 | kPa | 581.98 | Calculated Property |
| Pvap | 86.01 | kPa | 601.93 | Calculated Property |
| Pvap | 133.85 | kPa | 621.88 | Calculated Property |
| Pvap | 202.64 | kPa | 641.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methylnonadecane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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