- InChI
- InChI=1S/C4H9/c1-4(2)3/h4H,1H2,2-3H3
- InChI Key
- KTOQRRDVVIDEAA-UHFFFAOYSA-N
- Formula
- C4H9
- SMILES
- [CH2]C(C)C
- Molecular Weight1
- 57.12
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2513 | Relay (1.0) Calculated Property | |
| EA | 0.05 ± 0.12 | eV | NIST |
| ΔfG° | 32.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 70.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 4.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 16.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.93; 8.31] | eV |
|
| IE | 7.93 ± 0.03 | eV | NIST |
| IE | 8.01 ± 0.05 | eV | NIST |
| IE | 8.31 ± 0.03 | eV | NIST |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.476 | Crippen Calculated Property | |
| McVol | 65.070 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Tboil | 269.76 | K | Relay (1.0) Calculated Property |
| Tc | 410.88 | K | Relay (1.0) Calculated Property |
| Tfus | 100.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.243 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [84.51; 210.10] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.28390e+01 | |||
| Coefficient B | 4.92840e-01 | |||
| Coefficient C | -4.04400e-04 | |||
| Coefficient D | 1.44500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 84.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 107.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 126.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 143.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 157.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 170.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 181.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 191.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 200.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 210.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004910; 0.0001582] | Pa×s | [136.21; 316.55] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.60692e+00 | |||
| Coefficient B | 2.70770e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 136.21 | |||
| Temperature range, max. | 316.55 | |||
| η | 0.0004910 | Pa×s | 136.21 | Calculated Property |
| η | 0.0003805 | Pa×s | 156.25 | Calculated Property |
| η | 0.0003125 | Pa×s | 176.29 | Calculated Property |
| η | 0.0002671 | Pa×s | 196.32 | Calculated Property |
| η | 0.0002351 | Pa×s | 216.36 | Calculated Property |
| η | 0.0002115 | Pa×s | 236.40 | Calculated Property |
| η | 0.0001933 | Pa×s | 256.44 | Calculated Property |
| η | 0.0001791 | Pa×s | 276.47 | Calculated Property |
| η | 0.0001676 | Pa×s | 296.51 | Calculated Property |
| η | 0.0001582 | Pa×s | 316.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl radical.
Sources
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