- InChI
- InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3
- InChI Key
- FAGLEPBREOXSAC-UHFFFAOYSA-N
- Formula
- C5H9N
- SMILES
- [C-]#[N+]C(C)(C)C
- Molecular Weight1
- 83.13
- CAS
- 7188-38-7
- Other Names
-
- (CH3)3CNC
- 2-Methyl-2-isocyanopropane
- 2-methylpropyl isocyanide
- TBIN
- t-Butyl isocyanide
- tert-Butyl Isocyanide
- tert-Butylisonitrile
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| PAff | 870.70 | kJ/mol | NIST |
| BasG | 838.30 | kJ/mol | NIST |
| ΔfG° | 127.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 2.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.91 | kJ/mol | Joback Calculated Property |
| IE | 10.50 | eV | NIST |
| log10WS | -3.79 | Crippen Calculated Property | |
| logPoct/wat | 1.704 | Crippen Calculated Property | |
| McVol | 82.690 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Tboil | 365.00 | K | NIST |
| Tc | 616.42 | K | Joback Calculated Property |
| Tfus | 282.15 ± 4.00 | K | NIST |
| Vc | 0.331 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.24; 202.27] | J/mol×K | [412.65; 616.42] | 
|
| Cp,gas | 155.24 | J/mol×K | 412.65 | Joback Calculated Property |
| Cp,gas | 164.35 | J/mol×K | 446.61 | Joback Calculated Property |
| Cp,gas | 172.92 | J/mol×K | 480.57 | Joback Calculated Property |
| Cp,gas | 180.97 | J/mol×K | 514.54 | Joback Calculated Property |
| Cp,gas | 188.53 | J/mol×K | 548.50 | Joback Calculated Property |
| Cp,gas | 195.62 | J/mol×K | 582.46 | Joback Calculated Property |
| Cp,gas | 202.27 | J/mol×K | 616.42 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [271.72; 387.47] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52593e+01 | |||
| Coefficient B | -3.43148e+03 | |||
| Coefficient C | -4.25230e+01 | |||
| Temperature range, min. | 271.72 | |||
| Temperature range, max. | 387.47 | |||
| Pvap | 1.33 | kPa | 271.72 | Calculated Property |
| Pvap | 2.95 | kPa | 284.58 | Calculated Property |
| Pvap | 6.04 | kPa | 297.44 | Calculated Property |
| Pvap | 11.53 | kPa | 310.30 | Calculated Property |
| Pvap | 20.74 | kPa | 323.16 | Calculated Property |
| Pvap | 35.44 | kPa | 336.03 | Calculated Property |
| Pvap | 57.90 | kPa | 348.89 | Calculated Property |
| Pvap | 90.91 | kPa | 361.75 | Calculated Property |
| Pvap | 137.86 | kPa | 374.61 | Calculated Property |
| Pvap | 202.65 | kPa | 387.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-isocyano-2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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