- 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° | 81.15 | 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 | 716.95 | K | Relay (1.0) Calculated Property |
| Tfus | 264.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.983 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.18; 775.45] | J/mol×K | [587.92; 748.86] |
|
| Cp,gas | 667.18 | J/mol×K | 587.92 | Joback Calculated Property |
| Cp,gas | 687.14 | J/mol×K | 614.74 | Joback Calculated Property |
| Cp,gas | 706.30 | J/mol×K | 641.57 | Joback Calculated Property |
| Cp,gas | 724.69 | J/mol×K | 668.39 | Joback Calculated Property |
| Cp,gas | 742.33 | J/mol×K | 695.21 | Joback Calculated Property |
| Cp,gas | 759.24 | J/mol×K | 722.04 | Joback Calculated Property |
| Cp,gas | 775.45 | J/mol×K | 748.86 | Joback Calculated Property |
| η | [0.0001283; 0.0070198] | Pa×s | [266.35; 587.92] |
|
| η | 0.0070198 | Pa×s | 266.35 | Joback Calculated Property |
| η | 0.0020606 | Pa×s | 319.94 | Joback Calculated Property |
| η | 0.0008598 | Pa×s | 373.54 | Joback Calculated Property |
| η | 0.0004468 | Pa×s | 427.13 | Joback Calculated Property |
| η | 0.0002686 | Pa×s | 480.73 | Joback Calculated Property |
| η | 0.0001789 | Pa×s | 534.33 | Joback Calculated Property |
| η | 0.0001283 | Pa×s | 587.92 | Joback Calculated Property |
| ΔvapH | 63.40 | kJ/mol | 497.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [432.74; 605.71] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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