- InChI
- InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
- InChI Key
- VXCUURYYWGCLIH-UHFFFAOYSA-N
- Formula
- C12H23N
- SMILES
- CCCCCCCCCCCC#N
- Molecular Weight1
- 181.32
- CAS
- 2437-25-4
- Other Names
-
- 1-Cyanoundecane
- Decylacetonitrile
- Dodecanonitrile
- Lauric acid nitrile
- Lauric nitrile
- Lauronitrile
- NSC 1804
- Nitrile 12
- Undecyl cyanide
- n-Undecyl cyanide
- n-dodecanenitrile
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 183.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [74.90; 76.12] | kJ/mol |
|
| ΔvapH° | 76.12 | kJ/mol | NIST |
| ΔvapH° | 74.90 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 76.10 ± 0.10 | kJ/mol | NIST |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 4.431 | Crippen Calculated Property | |
| McVol | 181.320 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | [254.48; 1490.00] |
|
|
| Inp | 1490.00 | NIST | |
| Inp | 254.48 | NIST | |
| Inp | 254.48 | NIST | |
| Tboil | 550.20 | K | NIST |
| Tc | 753.98 | K | Joback Calculated Property |
| Tfus | [276.65; 277.17] | K |
|
| Tfus | 276.65 ± 2.00 | K | NIST |
| Tfus | 277.05 ± 0.30 | K | NIST |
| Tfus | 277.17 ± 0.30 | K | NIST |
| Tfus | 277.17 ± 0.30 | K | NIST |
| Tfus | 277.15 ± 1.00 | K | NIST |
| Vc | 0.734 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.83; 535.99] | J/mol×K | [576.04; 753.98] |
|
| Cp,gas | 455.83 | J/mol×K | 576.04 | Joback Calculated Property |
| Cp,gas | 470.75 | J/mol×K | 605.70 | Joback Calculated Property |
| Cp,gas | 485.02 | J/mol×K | 635.35 | Joback Calculated Property |
| Cp,gas | 498.66 | J/mol×K | 665.01 | Joback Calculated Property |
| Cp,gas | 511.69 | J/mol×K | 694.67 | Joback Calculated Property |
| Cp,gas | 524.13 | J/mol×K | 724.32 | Joback Calculated Property |
| Cp,gas | 535.99 | J/mol×K | 753.98 | Joback Calculated Property |
| ΔvapH | [60.70; 65.20] | kJ/mol | [427.50; 498.00] |
|
| ΔvapH | 65.20 | kJ/mol | 427.50 | NIST |
| ΔvapH | 60.70 | kJ/mol | 498.00 | NIST |
| Pvap | [5.20e-04; 0.11] | kPa | [298.20; 367.10] |
|
| Pvap | 5.20e-04 | kPa | 298.20 | Vapor P... |
| Pvap | 7.10e-04 | kPa | 301.20 | Vapor P... |
| Pvap | 1.11e-03 | kPa | 306.10 | Vapor P... |
| Pvap | 1.86e-03 | kPa | 312.20 | Vapor P... |
| Pvap | 2.39e-03 | kPa | 315.10 | Vapor P... |
| Pvap | 3.23e-03 | kPa | 318.20 | Vapor P... |
| Pvap | 3.60e-03 | kPa | 319.20 | Vapor P... |
| Pvap | 4.62e-03 | kPa | 322.20 | Vapor P... |
| Pvap | 5.90e-03 | kPa | 325.20 | Vapor P... |
| Pvap | 7.42e-03 | kPa | 328.20 | Vapor P... |
| Pvap | 9.36e-03 | kPa | 331.20 | Vapor P... |
| Pvap | 0.01 | kPa | 334.20 | Vapor P... |
| Pvap | 0.01 | kPa | 337.20 | Vapor P... |
| Pvap | 0.02 | kPa | 340.20 | Vapor P... |
| Pvap | 0.02 | kPa | 343.20 | Vapor P... |
| Pvap | 0.03 | kPa | 346.20 | Vapor P... |
| Pvap | 0.03 | kPa | 349.20 | Vapor P... |
| Pvap | 0.04 | kPa | 352.30 | Vapor P... |
| Pvap | 0.05 | kPa | 355.30 | Vapor P... |
| Pvap | 0.06 | kPa | 358.20 | Vapor P... |
| Pvap | 0.08 | kPa | 361.20 | Vapor P... |
| Pvap | 0.09 | kPa | 364.20 | Vapor P... |
| Pvap | 0.11 | kPa | 367.10 | Vapor P... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 471.20 | K | 13.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [413.62; 583.70] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47501e+01 | |||
| Coefficient B | -4.62117e+03 | |||
| Coefficient C | -9.40920e+01 | |||
| Temperature range, min. | 413.62 | |||
| Temperature range, max. | 583.70 | |||
| Pvap | 1.33 | kPa | 413.62 | Calculated Property |
| Pvap | 2.99 | kPa | 432.52 | Calculated Property |
| Pvap | 6.16 | kPa | 451.42 | Calculated Property |
| Pvap | 11.79 | kPa | 470.31 | Calculated Property |
| Pvap | 21.21 | kPa | 489.21 | Calculated Property |
| Pvap | 36.17 | kPa | 508.11 | Calculated Property |
| Pvap | 58.88 | kPa | 527.01 | Calculated Property |
| Pvap | 92.02 | kPa | 545.90 | Calculated Property |
| Pvap | 138.74 | kPa | 564.80 | Calculated Property |
| Pvap | 202.67 | kPa | 583.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecanenitrile.
Mixtures
- Carbon dioxide + Dodecanenitrile
- Methane, (methylsulfinyl)(methylthio)- + Dodecanenitrile
- Dimethyl Sulfoxide + Dodecanenitrile
Sources
- Crippen Method
- Crippen Method
- High pressure phase behavior for the binary mixture of valeronitrile, capronitrile and lauronitrile in supercritical carbon dioxide at temperatures from 313.2 to 393.2 K and pressures from 3.9 to 25.7 MPa
- Vapor Pressures and Enthalpies of Vaporization of a Series of the Linear Aliphatic Nitriles.
- Excess Enthalpies of {CH3(CH2)nCN, n = 5 to 12} + Methyl Methylthiomethyl Sulfoxide or + Dimethyl Sulfoxide at 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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