- InChI
- InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3
- InChI Key
- FSBLVBBRXSCOKU-UHFFFAOYSA-N
- Formula
- C5H9N
- SMILES
- [C-]#[N+]CCCC
- Molecular Weight1
- 83.13
- CAS
- 2769-64-4
- Other Names
-
- Butyl isocyanide
- Butylisonitrile
- n-Butyl isocyanide
- n-C4H9NC
- 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).
- IE : Ionization energy (eV).
- 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° | 124.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 18.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.20 | kJ/mol | Joback Calculated Property |
| IE | [11.10; 11.71] | eV |
|
| IE | 11.71 ± 0.05 | eV | NIST |
| IE | 11.10 | eV | NIST |
| log10WS | -3.68 | Crippen Calculated Property | |
| logPoct/wat | 1.706 | Crippen Calculated Property | |
| McVol | 82.690 | ml/mol | McGowan Calculated Property |
| Pc | 3368.44 | kPa | Joback Calculated Property |
| Tboil | 415.88 | K | Joback Calculated Property |
| Tc | 606.51 | K | Joback Calculated Property |
| Tfus | 211.10 | K | Joback Calculated Property |
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [298.12; 412.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61825e+01 | |||
| Coefficient B | -3.91686e+03 | |||
| Coefficient C | -5.16970e+01 | |||
| Temperature range, min. | 298.12 | |||
| Temperature range, max. | 412.00 | |||
| Pvap | 1.33 | kPa | 298.12 | Calculated Property |
| Pvap | 2.90 | kPa | 310.77 | Calculated Property |
| Pvap | 5.86 | kPa | 323.43 | Calculated Property |
| Pvap | 11.13 | kPa | 336.08 | Calculated Property |
| Pvap | 20.00 | kPa | 348.73 | Calculated Property |
| Pvap | 34.29 | kPa | 361.39 | Calculated Property |
| Pvap | 56.33 | kPa | 374.04 | Calculated Property |
| Pvap | 89.14 | kPa | 386.69 | Calculated Property |
| Pvap | 136.42 | kPa | 399.35 | Calculated Property |
| Pvap | 202.64 | kPa | 412.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-isocyano-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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