- InChI
- InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3
- InChI Key
- RCEJCSULJQNRQQ-UHFFFAOYSA-N
- Formula
- C5H9N
- SMILES
- CCC(C)C#N
- Molecular Weight1
- 83.13
- CAS
- 18936-17-9
- Other Names
-
- 2-Cyanobutane
- 2-Methylbutanenitrile
- 2-Methylbutylnitrile
- 2-Methylbutyronitrile
- Butyronitrile, 2-methyl-
- «alpha»-Methylbutyronitrile
- «alpha»-Methylbutyronitrile
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3213.80 ± 1.40 | kJ/mol | NIST |
| ΔfG° | 121.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 2.40 ± 1.40 | kJ/mol | NIST |
| ΔfH°liquid | -40.03 | kJ/mol | NIST |
| ΔfusH° | 6.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.60; 42.47] | kJ/mol |
|
| ΔvapH° | 42.47 ± 0.29 | kJ/mol | NIST |
| ΔvapH° | 42.40 | kJ/mol | NIST |
| ΔvapH° | 40.60 ± 0.06 | kJ/mol | NIST |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 1.556 | Crippen Calculated Property | |
| McVol | 82.690 | ml/mol | McGowan Calculated Property |
| Pc | 3399.94 | kPa | Joback Calculated Property |
| Inp | [717.00; 729.00] |
|
|
| Inp | 717.00 | NIST | |
| Inp | 729.00 | NIST | |
| I | [1091.00; 1094.00] |
|
|
| I | 1094.00 | NIST | |
| I | 1091.00 | NIST | |
| I | 1091.00 | NIST | |
| Tboil | [396.00; 400.00] | K |
|
| Tboil | 398.20 | K | NIST |
| Tboil | Outlier 396.00 ± 3.00 | K | NIST |
| Tboil | 399.70 ± 3.00 | K | NIST |
| Tboil | 398.00 ± 3.00 | K | NIST |
| Tboil | 398.00 ± 1.00 | K | NIST |
| Tboil | 397.00 ± 3.00 | K | NIST |
| Tboil | 399.00 ± 0.50 | K | NIST |
| Tboil | 400.00 ± 3.00 | K | NIST |
| Tboil | 398.70 ± 3.00 | K | NIST |
| Tboil | 398.00 ± 4.00 | K | NIST |
| Tc | 610.63 | K | Joback Calculated Property |
| Tfus | 196.10 | K | Joback Calculated Property |
| Vc | 0.336 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.89; 197.11] | J/mol×K | [415.44; 610.63] |
|
| Cp,gas | 152.89 | J/mol×K | 415.44 | Joback Calculated Property |
| Cp,gas | 161.10 | J/mol×K | 447.97 | Joback Calculated Property |
| Cp,gas | 168.97 | J/mol×K | 480.50 | Joback Calculated Property |
| Cp,gas | 176.49 | J/mol×K | 513.03 | Joback Calculated Property |
| Cp,gas | 183.69 | J/mol×K | 545.56 | Joback Calculated Property |
| Cp,gas | 190.56 | J/mol×K | 578.10 | Joback Calculated Property |
| Cp,gas | 197.11 | J/mol×K | 610.63 | Joback Calculated Property |
| ΔvapH | 42.50 ± 0.30 | kJ/mol | 293.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [301.19; 422.55] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39063e+01 | |||
| Coefficient B | -2.82768e+03 | |||
| Coefficient C | -9.35540e+01 | |||
| Temperature range, min. | 301.19 | |||
| Temperature range, max. | 422.55 | |||
| Pvap | 1.33 | kPa | 301.19 | Calculated Property |
| Pvap | 3.06 | kPa | 314.67 | Calculated Property |
| Pvap | 6.38 | kPa | 328.16 | Calculated Property |
| Pvap | 12.29 | kPa | 341.64 | Calculated Property |
| Pvap | 22.11 | kPa | 355.13 | Calculated Property |
| Pvap | 37.56 | kPa | 368.61 | Calculated Property |
| Pvap | 60.73 | kPa | 382.10 | Calculated Property |
| Pvap | 94.06 | kPa | 395.58 | Calculated Property |
| Pvap | 140.34 | kPa | 409.07 | Calculated Property |
| Pvap | 202.63 | kPa | 422.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanenitrile, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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