- InChI
- InChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3
- InChI Key
- ZXPWFWWSCFIFII-UHFFFAOYSA-N
- Formula
- C17H33N
- SMILES
- CCCCCCCCCCCCCCCCC#N
- Molecular Weight1
- 251.45
- CAS
- 5399-02-0
- Other Names
-
- 1-cyanohexadecane
- Cetyl cyanide
- Heptadecanoic acid nitrile
- Margaronitrile
- heptadecanonitrile
- hexadecyl cyanide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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° | 225.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.90 ± 0.40 | kJ/mol | NIST |
| log10WS | -6.81 | Crippen Calculated Property | |
| logPoct/wat | 6.381 | Crippen Calculated Property | |
| McVol | 251.770 | ml/mol | McGowan Calculated Property |
| Pc | 1209.83 | kPa | Joback Calculated Property |
| Inp | 332.98 | NIST | |
| Tboil | 690.44 | K | Joback Calculated Property |
| Tc | 864.67 | K | Joback Calculated Property |
| Tfus | 307.15 ± 0.70 | K | NIST |
| Vc | 1.014 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.21; 816.81] | J/mol×K | [690.44; 864.67] | 
|
| Cp,gas | 723.21 | J/mol×K | 690.44 | Joback Calculated Property |
| Cp,gas | 740.70 | J/mol×K | 719.48 | Joback Calculated Property |
| Cp,gas | 757.41 | J/mol×K | 748.52 | Joback Calculated Property |
| Cp,gas | 773.34 | J/mol×K | 777.56 | Joback Calculated Property |
| Cp,gas | 788.54 | J/mol×K | 806.59 | Joback Calculated Property |
| Cp,gas | 803.02 | J/mol×K | 835.63 | Joback Calculated Property |
| Cp,gas | 816.81 | J/mol×K | 864.67 | Joback Calculated Property |
| ΔvapH | 81.20 | kJ/mol | 522.50 | NIST |
| Pvap | [5.50e-04; 0.01] | kPa | [348.20; 385.20] |
|
| Pvap | 5.50e-04 | kPa | 348.20 | Vapor P... |
| Pvap | 7.20e-04 | kPa | 351.20 | Vapor P... |
| Pvap | 9.30e-04 | kPa | 354.20 | Vapor P... |
| Pvap | 1.17e-03 | kPa | 357.20 | Vapor P... |
| Pvap | 1.56e-03 | kPa | 360.20 | Vapor P... |
| Pvap | 2.01e-03 | kPa | 363.20 | Vapor P... |
| Pvap | 2.52e-03 | kPa | 366.20 | Vapor P... |
| Pvap | 3.16e-03 | kPa | 369.10 | Vapor P... |
| Pvap | 4.02e-03 | kPa | 372.10 | Vapor P... |
| Pvap | 5.32e-03 | kPa | 376.20 | Vapor P... |
| Pvap | 6.78e-03 | kPa | 379.20 | Vapor P... |
| Pvap | 8.24e-03 | kPa | 382.20 | Vapor P... |
| Pvap | 0.01 | kPa | 385.20 | Vapor P... |
Similar Compounds
Find more compounds similar to Heptadecanenitrile.
Sources
- Crippen Method
- Crippen Method
- Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
- Joback Method
- McGowan Method
- NIST Webbook
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