- InChI
- InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,4-16H2,1-3H3
- InChI Key
- WWPCLIMUTNKTDY-UHFFFAOYSA-N
- Formula
- C17H36
- SMILES
- CCCCCCCCCCCCCC(C)CC
- Molecular Weight1
- 240.48
- CAS
- 6418-43-5
- Other Names
-
- 3-Methylhexadecane
- 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).
- 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 | 0.7150 | Relay (1.0) Calculated Property | |
| ΔfG° | 89.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.734 | Crippen Calculated Property | |
| McVol | 250.390 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Inp | [1668.00; 1677.00] |
|
|
| Inp | 1673.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Tboil | 553.87 | K | Relay (1.0) Calculated Property |
| Tc | 719.75 | K | Relay (1.0) Calculated Property |
| Tfus | 258.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.986 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 63.40 | kJ/mol | 497.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.80; 896.91] | 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 | -1.42470e+01 | |||
| Coefficient B | 1.62476e+00 | |||
| Coefficient C | -9.04200e-04 | |||
| Coefficient D | 1.90600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 365.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 455.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 536.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 609.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 673.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 730.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 780.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 824.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 863.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 896.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0088566; 0.0001917] | Pa×s | [258.15; 524.38] |
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 | -1.22764e+01 | |||
| Coefficient B | 1.94898e+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. | 258.15 | |||
| Temperature range, max. | 524.38 | |||
| η | 0.0088566 | Pa×s | 258.15 | Calculated Property |
| η | 0.0040755 | Pa×s | 287.73 | Calculated Property |
| η | 0.0021674 | Pa×s | 317.31 | Calculated Property |
| η | 0.0012837 | Pa×s | 346.89 | Calculated Property |
| η | 0.0008255 | Pa×s | 376.47 | Calculated Property |
| η | 0.0005662 | Pa×s | 406.06 | Calculated Property |
| η | 0.0004087 | Pa×s | 435.64 | Calculated Property |
| η | 0.0003075 | Pa×s | 465.22 | Calculated Property |
| η | 0.0002394 | Pa×s | 494.80 | Calculated Property |
| η | 0.0001917 | Pa×s | 524.38 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [432.74; 605.71] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42805e+01 | |||
| Coefficient B | -4.32094e+03 | |||
| Coefficient C | -1.23950e+02 | |||
| Temperature range, min. | 432.74 | |||
| Temperature range, max. | 605.71 | |||
| Pvap | 1.33 | kPa | 432.74 | Calculated Property |
| Pvap | 3.03 | kPa | 451.96 | Calculated Property |
| Pvap | 6.27 | kPa | 471.18 | Calculated Property |
| Pvap | 12.05 | kPa | 490.40 | Calculated Property |
| Pvap | 21.69 | kPa | 509.62 | Calculated Property |
| Pvap | 36.91 | kPa | 528.83 | Calculated Property |
| Pvap | 59.87 | kPa | 548.05 | Calculated Property |
| Pvap | 93.11 | kPa | 567.27 | Calculated Property |
| Pvap | 139.60 | kPa | 586.49 | Calculated Property |
| Pvap | 202.65 | kPa | 605.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane, 3-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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