- InChI
- InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-14H2,1H3
- InChI Key
- KRKQHNVYOWTEQO-UHFFFAOYSA-N
- Formula
- C15H29N
- SMILES
- CCCCCCCCCCCCCCC#N
- Molecular Weight1
- 223.40
- CAS
- 18300-91-9
- Other Names
-
- 1-tetradecyl cyanide
- Pentadecanitrile
- Pentadecanonitrile
- Tetradecyl cyanide
- n-Pentadecanonitrile
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 208.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.46 | kJ/mol | Joback Calculated Property |
| log10WS | -5.97 | Crippen Calculated Property | |
| logPoct/wat | 5.601 | Crippen Calculated Property | |
| McVol | 223.590 | ml/mol | McGowan Calculated Property |
| Pc | 1389.18 | kPa | Joback Calculated Property |
| Tboil | 595.20 | K | NIST |
| Tc | 819.33 | K | Joback Calculated Property |
| Tfus | 296.15 ± 2.00 | K | NIST |
| Vc | 0.901 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.13; 701.06] | J/mol×K | [644.68; 819.33] | 
|
| Cp,gas | 612.13 | J/mol×K | 644.68 | Joback Calculated Property |
| Cp,gas | 628.71 | J/mol×K | 673.79 | Joback Calculated Property |
| Cp,gas | 644.57 | J/mol×K | 702.90 | Joback Calculated Property |
| Cp,gas | 659.70 | J/mol×K | 732.00 | Joback Calculated Property |
| Cp,gas | 674.15 | J/mol×K | 761.11 | Joback Calculated Property |
| Cp,gas | 687.93 | J/mol×K | 790.22 | Joback Calculated Property |
| Cp,gas | 701.06 | J/mol×K | 819.33 | Joback Calculated Property |
| Pvap | [1.05e-03; 0.02] | kPa | [336.20; 372.10] |
|
| Pvap | 1.05e-03 | kPa | 336.20 | Vapor P... |
| Pvap | 1.37e-03 | kPa | 339.20 | Vapor P... |
| Pvap | 1.76e-03 | kPa | 342.10 | Vapor P... |
| Pvap | 2.19e-03 | kPa | 345.20 | Vapor P... |
| Pvap | 2.87e-03 | kPa | 348.10 | Vapor P... |
| Pvap | 3.56e-03 | kPa | 351.20 | Vapor P... |
| Pvap | 4.59e-03 | kPa | 354.20 | Vapor P... |
| Pvap | 5.67e-03 | kPa | 357.20 | Vapor P... |
| Pvap | 7.04e-03 | kPa | 360.20 | Vapor P... |
| Pvap | 9.01e-03 | kPa | 363.20 | Vapor P... |
| Pvap | 0.01 | kPa | 366.20 | Vapor P... |
| Pvap | 0.01 | kPa | 369.10 | Vapor P... |
| Pvap | 0.02 | kPa | 372.10 | Vapor P... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [449.62; 630.81] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48225e+01 | |||
| Coefficient B | -4.98573e+03 | |||
| Coefficient C | -1.06602e+02 | |||
| Temperature range, min. | 449.62 | |||
| Temperature range, max. | 630.81 | |||
| Pvap | 1.33 | kPa | 449.62 | Calculated Property |
| Pvap | 2.98 | kPa | 469.75 | Calculated Property |
| Pvap | 6.14 | kPa | 489.88 | Calculated Property |
| Pvap | 11.75 | kPa | 510.02 | Calculated Property |
| Pvap | 21.14 | kPa | 530.15 | Calculated Property |
| Pvap | 36.06 | kPa | 550.28 | Calculated Property |
| Pvap | 58.73 | kPa | 570.41 | Calculated Property |
| Pvap | 91.85 | kPa | 590.55 | Calculated Property |
| Pvap | 138.61 | kPa | 610.68 | Calculated Property |
| Pvap | 202.65 | kPa | 630.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecanenitrile.
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
- The Yaws Handbook of Vapor Pressure
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