- InChI
- InChI=1S/C6H11N/c1-3-6(2)4-5-7/h6H,3-4H2,1-2H3
- InChI Key
- MMRQLDRBAXLMRH-UHFFFAOYSA-N
- Formula
- C6H11N
- SMILES
- CCC(C)CC#N
- Molecular Weight1
- 97.16
- CAS
- 21101-88-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 130.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.04 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.946 | Crippen Calculated Property | |
| McVol | 96.780 | ml/mol | McGowan Calculated Property |
| Pc | 3049.04 | kPa | Joback Calculated Property |
| I | [1241.00; 1241.00] |
|
|
| I | 1241.00 | NIST | |
| I | 1241.00 | NIST | |
| Tboil | 438.32 | K | Joback Calculated Property |
| Tc | 631.63 | K | Joback Calculated Property |
| Tfus | 207.37 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.99; 241.57] | J/mol×K | [438.32; 631.63] |
|
| Cp,gas | 189.99 | J/mol×K | 438.32 | Joback Calculated Property |
| Cp,gas | 199.58 | J/mol×K | 470.54 | Joback Calculated Property |
| Cp,gas | 208.77 | J/mol×K | 502.76 | Joback Calculated Property |
| Cp,gas | 217.55 | J/mol×K | 534.97 | Joback Calculated Property |
| Cp,gas | 225.93 | J/mol×K | 567.19 | Joback Calculated Property |
| Cp,gas | 233.94 | J/mol×K | 599.41 | Joback Calculated Property |
| Cp,gas | 241.57 | J/mol×K | 631.63 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [314.42; 452.27] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45973e+01 | |||
| Coefficient B | -3.64611e+03 | |||
| Coefficient C | -5.96200e+01 | |||
| Temperature range, min. | 314.42 | |||
| Temperature range, max. | 452.27 | |||
| Pvap | 1.33 | kPa | 314.42 | Calculated Property |
| Pvap | 3.00 | kPa | 329.74 | Calculated Property |
| Pvap | 6.19 | kPa | 345.05 | Calculated Property |
| Pvap | 11.87 | kPa | 360.37 | Calculated Property |
| Pvap | 21.36 | kPa | 375.69 | Calculated Property |
| Pvap | 36.40 | kPa | 391.00 | Calculated Property |
| Pvap | 59.19 | kPa | 406.32 | Calculated Property |
| Pvap | 92.35 | kPa | 421.64 | Calculated Property |
| Pvap | 139.00 | kPa | 436.95 | Calculated Property |
| Pvap | 202.63 | kPa | 452.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylpentanenitrile.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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