- InChI
- InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
- InChI Key
- KDSNLYIMUZNERS-UHFFFAOYSA-N
- Formula
- C4H11N
- SMILES
- CC(C)CN
- Molecular Weight1
- 73.14
- CAS
- 78-81-9
- Other Names
-
- (2-methylpropyl)amine
- 1-amino-2-methylpropane
- 1-propanamine, 2-methyl-
- 2-Methyl-1-Aminopropane
- 2-Methylpropylamine
- 2-methyl-1-propanamine
- 2-methylpropanamine
- 3-Methyl-2-propylamine
- Monoisobutylamine
- NSC 8028
- UN 1214
- i-Butylamine
- iso-C4H9NH2
- valamine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- 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).
- Vm : Molar Volume (m3/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3616 | Relay (1.0) Calculated Property | |
| PAff | 924.80 | kJ/mol | NIST |
| BasG | 890.80 | kJ/mol | NIST |
| ΔcH°liquid | [-3013.50; -2987.00] | kJ/mol |
|
| ΔcH°liquid | -3013.50 ± 0.42 | kJ/mol | NIST |
| ΔcH°liquid | -2987.00 | kJ/mol | NIST |
| ΔfG° | 46.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-144.10; -98.62] | kJ/mol |
|
| ΔfH°gas | -98.62 ± 0.54 | kJ/mol | NIST |
| ΔfH°gas | -144.10 | kJ/mol | NIST |
| ΔfH°liquid | [-178.00; -132.50] | kJ/mol |
|
| ΔfH°liquid | -132.50 ± 0.50 | kJ/mol | NIST |
| ΔfH°liquid | -178.00 | kJ/mol | NIST |
| ΔfusH° | 7.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [33.76; 34.00] | kJ/mol |
|
| ΔvapH° | 34.00 | kJ/mol | NIST |
| ΔvapH° | 33.90 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 33.90 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 33.90 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 33.90 | kJ/mol | NIST |
| ΔvapH° | 33.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 33.76 ± 0.06 | kJ/mol | NIST |
| IE | [8.50; 8.70] | eV |
|
| IE | 8.50 ± 0.10 | eV | NIST |
| IE | 8.70 | eV | NIST |
| log10WS | -0.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.601 | Crippen Calculated Property | |
| McVol | 77.200 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Inp | [543.00; 605.00] |
|
|
| Inp | 600.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 581.00 | NIST | |
| Inp | 548.00 | NIST | |
| Inp | Outlier 543.00 | NIST | |
| Inp | 591.00 | NIST | |
| Inp | 591.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 591.00 | NIST | |
| Inp | 600.00 | NIST | |
| I | [840.00; 860.00] |
|
|
| I | 842.00 | NIST | |
| I | 842.00 | NIST | |
| I | 860.00 | NIST | |
| I | 855.00 | NIST | |
| I | 840.00 | NIST | |
| I | 842.00 | NIST | |
| Tboil | [340.15; 342.00] | K |
|
| Tboil | 341.70 | K | NIST |
| Tboil | 340.70 | K | NIST |
| Tboil | 342.00 ± 3.00 | K | NIST |
| Tboil | 341.15 ± 1.50 | K | NIST |
| Tboil | 340.85 ± 0.30 | K | NIST |
| Tboil | 340.15 ± 1.00 | K | NIST |
| Tboil | 341.15 ± 2.00 | K | NIST |
| Tboil | 341.15 ± 0.50 | K | NIST |
| Tboil | 341.65 ± 1.50 | K | NIST |
| Tc | 516.90 | K | NIST |
| Tfus | [186.50; 188.55] | K |
|
| Tfus | 186.50 ± 0.50 | K | NIST |
| Tfus | 188.55 ± 1.50 | K | NIST |
| Tfus | 187.65 ± 0.50 | K | NIST |
| Vc | 0.266 | m3/kmol | Relay (1.0) Calculated Property |
| Vm | 1.01e-04 | m3/mol | Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 194.00 | J/mol×K | 298.15 | NIST |
| ΔvapH | [30.61; 37.60] | kJ/mol | [297.50; 340.70] |
|
| ΔvapH | 37.60 | kJ/mol | 297.50 | NIST |
| ΔvapH | 32.70 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 33.50 | kJ/mol | 318.50 | NIST |
| ΔvapH | 31.60 ± 0.10 | kJ/mol | 328.00 | NIST |
| ΔvapH | 30.61 | kJ/mol | 340.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [110.40; 262.20] | 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 | 4.06100e+00 | |||
| Coefficient B | 4.51640e-01 | |||
| Coefficient C | -2.40400e-04 | |||
| Coefficient D | 4.69000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 110.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 135.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 158.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 179.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 197.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 214.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 228.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 241.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 252.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 262.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [2.86e-03; 20044.30] | kPa | [188.55; 664.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 6.78232e+01 | |||
| Coefficient B | -6.17764e+03 | |||
| Coefficient C | -7.84560e+00 | |||
| Coefficient D | 5.37349e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 188.55 | |||
| Temperature range, max. | 664.00 | |||
| Pvap | 2.86e-03 | kPa | 188.55 | Calculated Property |
| Pvap | 0.61 | kPa | 241.38 | Calculated Property |
| Pvap | 14.79 | kPa | 294.21 | Calculated Property |
| Pvap | 118.72 | kPa | 347.03 | Calculated Property |
| Pvap | 507.22 | kPa | 399.86 | Calculated Property |
| Pvap | 1480.78 | kPa | 452.69 | Calculated Property |
| Pvap | 3403.17 | kPa | 505.52 | Calculated Property |
| Pvap | 6706.84 | kPa | 558.34 | Calculated Property |
| Pvap | 11967.67 | kPa | 611.17 | Calculated Property |
| Pvap | 20044.30 | kPa | 664.00 | Calculated Property |
| Pvap | [0.13; 102.57] | kPa | [223.00; 341.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47666e+01 | |||
| Coefficient B | -3.03451e+03 | |||
| Coefficient C | -4.24210e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 223.00 | |||
| Temperature range, max. | 341.80 | |||
| Pvap | 0.13 | kPa | 223.00 | Calculated Property |
| Pvap | 0.41 | kPa | 236.20 | Calculated Property |
| Pvap | 1.11 | kPa | 249.40 | Calculated Property |
| Pvap | 2.68 | kPa | 262.60 | Calculated Property |
| Pvap | 5.84 | kPa | 275.80 | Calculated Property |
| Pvap | 11.71 | kPa | 289.00 | Calculated Property |
| Pvap | 21.88 | kPa | 302.20 | Calculated Property |
| Pvap | 38.49 | kPa | 315.40 | Calculated Property |
| Pvap | 64.27 | kPa | 328.60 | Calculated Property |
| Pvap | 102.57 | kPa | 341.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutylamine.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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