- InChI
- InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
- InChI Key
- RFFFKMOABOFIDF-UHFFFAOYSA-N
- Formula
- C5H9N
- SMILES
- CCCCC#N
- Molecular Weight1
- 83.13
- CAS
- 110-59-8
- Other Names
-
- 1-Butyl cyanide
- 1-CYANOBUTANE
- BUTYL CYANIDE
- Butane, 1-cyano-
- CH3(CH2)3CN
- N-VALERONITRILE
- Pentanonitrile
- VALERONITRILE
- n-Pentanenitrile
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ρl : Liquid Density (kg/m3).
- 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 |
|---|---|---|---|
| PAff | 802.40 | kJ/mol | NIST |
| BasG | 771.70 | kJ/mol | NIST |
| ΔcH°liquid | -3220.70 ± 1.30 | kJ/mol | NIST |
| EA | 0.01 ± 0.00 | eV | NIST |
| ΔfG° | 124.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 11.10 | kJ/mol | NIST |
| ΔfH°liquid | -33.20 | kJ/mol | NIST |
| ΔfusH° | 10.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [43.60; 44.30] | kJ/mol |
|
| ΔvapH° | 43.64 | kJ/mol | NIST |
| ΔvapH° | 43.60 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 44.27 | kJ/mol | NIST |
| ΔvapH° | 44.30 | kJ/mol | NIST |
| ΔvapH° | 44.30 | kJ/mol | NIST |
| ΔvapH° | 44.10 ± 0.20 | kJ/mol | NIST |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.700 | Crippen Calculated Property | |
| McVol | 82.690 | ml/mol | McGowan Calculated Property |
| Pc | [3580.00; 3580.00] | kPa |
|
| Pc | 3580.00 | kPa | KDB |
| Pc | 3580.00 ± 10.00 | kPa | NIST |
| Inp | [692.90; 782.00] |
|
|
| Inp | 742.19 | NIST | |
| Inp | 743.33 | NIST | |
| Inp | 744.50 | NIST | |
| Inp | 745.75 | NIST | |
| Inp | 747.03 | NIST | |
| Inp | 748.48 | NIST | |
| Inp | 749.97 | NIST | |
| Inp | 751.52 | NIST | |
| Inp | 753.12 | NIST | |
| Inp | 754.80 | NIST | |
| Inp | 737.27 | NIST | |
| Inp | 737.44 | NIST | |
| Inp | 737.79 | NIST | |
| Inp | 738.24 | NIST | |
| Inp | 738.84 | NIST | |
| Inp | 739.50 | NIST | |
| Inp | 740.32 | NIST | |
| Inp | 741.21 | NIST | |
| Inp | 778.42 | NIST | |
| Inp | Outlier 692.90 | NIST | |
| Inp | Outlier 693.60 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 772.90 | NIST | |
| Inp | 777.00 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | Outlier 782.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | Outlier 782.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 772.90 | NIST | |
| Tboil | [391.70; 419.85] | K |
|
| Tboil | 414.40 | K | KDB |
| Tboil | 413.20 | K | NIST |
| Tboil | 413.00 ± 1.00 | K | NIST |
| Tboil | 414.50 | K | NIST |
| Tboil | 414.40 | K | NIST |
| Tboil | 413.60 ± 0.50 | K | NIST |
| Tboil | 415.00 ± 2.00 | K | NIST |
| Tboil | 414.40 ± 1.00 | K | NIST |
| Tboil | 413.00 ± 5.00 | K | NIST |
| Tboil | 414.40 ± 0.07 | K | NIST |
| Tboil | 414.50 ± 0.70 | K | NIST |
| Tboil | 409.00 ± 5.00 | K | NIST |
| Tboil | 414.00 ± 2.00 | K | NIST |
| Tboil | 413.30 ± 1.00 | K | NIST |
| Tboil | 414.50 ± 0.30 | K | NIST |
| Tboil | 413.90 ± 0.30 | K | NIST |
| Tboil | 419.85 ± 0.20 | K | NIST |
| Tboil | 413.90 ± 0.30 | K | NIST |
| Tboil | 413.00 ± 4.00 | K | NIST |
| Tboil | 414.00 ± 2.00 | K | NIST |
| Tboil | 413.00 ± 2.00 | K | NIST |
| Tboil | Outlier 391.70 ± 20.00 | K | NIST |
| Tc | [610.30; 610.30] | K |
|
| Tc | 610.30 | K | KDB |
| Tc | 610.30 ± 0.20 | K | NIST |
| Tfus | [176.37; 177.00] | K |
|
| Tfus | 176.90 | K | KDB |
| Tfus | 176.92 ± 0.20 | K | NIST |
| Tfus | 176.95 ± 0.15 | K | NIST |
| Tfus | Outlier 176.37 ± 0.05 | K | NIST |
| Tfus | 177.00 ± 2.00 | K | NIST |
| Tfus | 177.00 ± 2.00 | K | NIST |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.81; 195.68] | J/mol×K | [415.88; 606.51] |
|
| Cp,gas | 152.81 | J/mol×K | 415.88 | Joback Calculated Property |
| Cp,gas | 160.74 | J/mol×K | 447.65 | Joback Calculated Property |
| Cp,gas | 168.35 | J/mol×K | 479.42 | Joback Calculated Property |
| Cp,gas | 175.64 | J/mol×K | 511.20 | Joback Calculated Property |
| Cp,gas | 182.62 | J/mol×K | 542.97 | Joback Calculated Property |
| Cp,gas | 189.29 | J/mol×K | 574.74 | Joback Calculated Property |
| Cp,gas | 195.68 | J/mol×K | 606.51 | Joback Calculated Property |
| ΔvapH | [36.09; 44.20] | kJ/mol | [365.50; 414.40] |
|
| ΔvapH | 42.30 | kJ/mol | 365.50 | NIST |
| ΔvapH | 44.20 | kJ/mol | 378.00 | NIST |
| ΔvapH | 36.09 | kJ/mol | 414.40 | NIST |
| Pvap | [5.00; 100.00] | kPa | [329.35; 412.96] |
|
| Pvap | 5.00 | kPa | 329.35 | Physico... |
| Pvap | 9.90 | kPa | 344.89 | Physico... |
| Pvap | 10.00 | kPa | 345.13 | Physico... |
| Pvap | 20.00 | kPa | 362.77 | Physico... |
| Pvap | 30.00 | kPa | 374.08 | Physico... |
| Pvap | 45.00 | kPa | 386.22 | Physico... |
| Pvap | 60.00 | kPa | 395.40 | Physico... |
| Pvap | 86.40 | kPa | 407.76 | Physico... |
| Pvap | 95.00 | kPa | 411.12 | Physico... |
| Pvap | 100.00 | kPa | 412.96 | Physico... |
| ρl | 794.79 | kg/m3 | 298.15 | Calorim... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [304.52; 440.63] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49756e+01 | |||
| Coefficient B | -3.84562e+03 | |||
| Coefficient C | -4.27040e+01 | |||
| Temperature range, min. | 304.52 | |||
| Temperature range, max. | 440.63 | |||
| Pvap | 1.33 | kPa | 304.52 | Calculated Property |
| Pvap | 2.97 | kPa | 319.64 | Calculated Property |
| Pvap | 6.10 | kPa | 334.77 | Calculated Property |
| Pvap | 11.67 | kPa | 349.89 | Calculated Property |
| Pvap | 20.99 | kPa | 365.01 | Calculated Property |
| Pvap | 35.83 | kPa | 380.14 | Calculated Property |
| Pvap | 58.43 | kPa | 395.26 | Calculated Property |
| Pvap | 91.51 | kPa | 410.38 | Calculated Property |
| Pvap | 138.33 | kPa | 425.51 | Calculated Property |
| Pvap | 202.65 | kPa | 440.63 | Calculated Property |
| Pvap | [1.20e-06; 3288.08] | kPa | [176.95; 603.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.00058e+02 | |||
| Coefficient B | -8.56597e+03 | |||
| Coefficient C | -1.26679e+01 | |||
| Coefficient D | 9.19771e-06 | |||
| Temperature range, min. | 176.95 | |||
| Temperature range, max. | 603.00 | |||
| Pvap | 1.20e-06 | kPa | 176.95 | Calculated Property |
| Pvap | 1.95e-03 | kPa | 224.29 | Calculated Property |
| Pvap | 0.17 | kPa | 271.63 | Calculated Property |
| Pvap | 3.03 | kPa | 318.97 | Calculated Property |
| Pvap | 22.71 | kPa | 366.31 | Calculated Property |
| Pvap | 99.40 | kPa | 413.64 | Calculated Property |
| Pvap | 309.18 | kPa | 460.98 | Calculated Property |
| Pvap | 771.34 | kPa | 508.32 | Calculated Property |
| Pvap | 1667.44 | kPa | 555.66 | Calculated Property |
| Pvap | 3288.08 | kPa | 603.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanenitrile.
Mixtures
- Ethane, 1,2-dichloro- + Pentanenitrile
- Benzene, 1,2-dichloro- + Pentanenitrile
- Benzene + Pentanenitrile
- Pentanenitrile + Carbon Tetrachloride
- Carbon dioxide + Pentanenitrile
Sources
- KDB Vapor Pressure Data
- 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
- Physico-Chemical Properties of LiFSI Solutions I. LiFSI with Valeronitrile, Dichloromethane, 1,2-Dichloroethane, and 1,2-Dichlorobenzene
- Calorimetric Study of Nitrile Group-Solvent Interactions and Comparison with Dispersive Quasi-Chemical (DISQUAC) Predictions
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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