- InChI
- InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3
- InChI Key
- HPDKJRSKBCPMIY-UHFFFAOYSA-N
- Formula
- C18H38
- SMILES
- CCCCCCCCCCCCCCC(C)CC
- Molecular Weight1
- 254.49
- CAS
- 6418-44-6
- Other Names
-
- 3-Methylheptadecane
- Hexadecane, 2-ethyl
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | 98.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.27 | kJ/mol | Joback Calculated Property |
| log10WS | -7.12 | Crippen Calculated Property | |
| logPoct/wat | 7.124 | Crippen Calculated Property | |
| McVol | 264.480 | ml/mol | McGowan Calculated Property |
| Pc | 1158.50 | kPa | Joback Calculated Property |
| Inp | [1765.00; 1775.00] |
|
|
| Inp | 1772.00 | NIST | |
| Inp | 1768.40 | NIST | |
| Inp | 1771.20 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1774.00 | NIST | |
| Inp | 1775.00 | NIST | |
| Inp | 1772.00 | NIST | |
| Inp | 1773.20 | NIST | |
| Inp | 1774.00 | NIST | |
| Inp | 1770.00 | NIST | |
| Inp | Outlier 1765.00 | NIST | |
| Inp | 1774.00 | NIST | |
| Inp | 1767.00 | NIST | |
| Inp | 1772.00 | NIST | |
| Inp | 1773.20 | NIST | |
| I | [1754.00; 1769.20] |
|
|
| I | 1769.20 | NIST | |
| I | 1754.00 | NIST | |
| I | 1754.00 | NIST | |
| Tboil | 610.80 | K | Joback Calculated Property |
| Tc | 771.74 | K | Joback Calculated Property |
| Tfus | 267.00 ± 2.00 | K | NIST |
| Vc | 1.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.79; 834.20] | J/mol×K | [610.80; 771.74] |
|
| Cp,gas | 723.79 | J/mol×K | 610.80 | Joback Calculated Property |
| Cp,gas | 744.17 | J/mol×K | 637.62 | Joback Calculated Property |
| Cp,gas | 763.72 | J/mol×K | 664.45 | Joback Calculated Property |
| Cp,gas | 782.48 | J/mol×K | 691.27 | Joback Calculated Property |
| Cp,gas | 800.46 | J/mol×K | 718.09 | Joback Calculated Property |
| Cp,gas | 817.70 | J/mol×K | 744.91 | Joback Calculated Property |
| Cp,gas | 834.20 | J/mol×K | 771.74 | Joback Calculated Property |
| η | [0.0001146; 0.0063506] | Pa×s | [277.62; 610.80] |
|
| η | 0.0063506 | Pa×s | 277.62 | Joback Calculated Property |
| η | 0.0018624 | Pa×s | 333.15 | Joback Calculated Property |
| η | 0.0007754 | Pa×s | 388.68 | Joback Calculated Property |
| η | 0.0004019 | Pa×s | 444.21 | Joback Calculated Property |
| η | 0.0002411 | Pa×s | 499.74 | Joback Calculated Property |
| η | 0.0001602 | Pa×s | 555.27 | Joback Calculated Property |
| η | 0.0001146 | Pa×s | 610.80 | Joback Calculated Property |
| ΔvapH | 65.60 | kJ/mol | 512.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [444.66; 621.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42537e+01 | |||
| Coefficient B | -4.39662e+03 | |||
| Coefficient C | -1.29850e+02 | |||
| Temperature range, min. | 444.66 | |||
| Temperature range, max. | 621.52 | |||
| Pvap | 1.33 | kPa | 444.66 | Calculated Property |
| Pvap | 3.03 | kPa | 464.31 | Calculated Property |
| Pvap | 6.28 | kPa | 483.96 | Calculated Property |
| Pvap | 12.07 | kPa | 503.61 | Calculated Property |
| Pvap | 21.72 | kPa | 523.26 | Calculated Property |
| Pvap | 36.96 | kPa | 542.92 | Calculated Property |
| Pvap | 59.93 | kPa | 562.57 | Calculated Property |
| Pvap | 93.18 | kPa | 582.22 | Calculated Property |
| Pvap | 139.66 | kPa | 601.87 | Calculated Property |
| Pvap | 202.65 | kPa | 621.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecane, 3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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