- InChI
- InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
- InChI Key
- NJBCRXCAPCODGX-UHFFFAOYSA-N
- Formula
- C8H19N
- SMILES
- CC(C)CNCC(C)C
- Molecular Weight1
- 129.24
- CAS
- 110-96-3
- Other Names
-
- (i-C4H9)2NH
- Di(-2-methylpropyl)amine
- Diisobutylamine
- N,N-Bis(2-methylpropyl)amine
- UN 2361
- 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).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5480 | KDB | |
| PAff | 958.10 | kJ/mol | NIST |
| BasG | 925.10 | kJ/mol | NIST |
| ΔcH°liquid | [-5663.50; -5638.10] | kJ/mol |
|
| ΔcH°liquid | -5638.10 ± 2.00 | kJ/mol | NIST |
| ΔcH°liquid | -5644.93 ± 0.42 | kJ/mol | NIST |
| ΔcH°liquid | -5663.50 | kJ/mol | NIST |
| ΔfH°gas | [-191.40; -174.00] | kJ/mol |
|
| ΔfH°gas | -180.80 ± 2.70 | kJ/mol | NIST |
| ΔfH°gas | -174.00 | kJ/mol | NIST |
| ΔfH°gas | -191.40 | kJ/mol | NIST |
| ΔfH°liquid | [-236.00; -218.60] | kJ/mol |
|
| ΔfH°liquid | -225.40 ± 2.30 | kJ/mol | NIST |
| ΔfH°liquid | -218.60 ± 0.46 | kJ/mol | NIST |
| ΔfH°liquid | -236.00 | kJ/mol | NIST |
| ΔfusH° | 14.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [39.30; 44.60] | kJ/mol |
|
| ΔvapH° | 44.60 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 44.60 | kJ/mol | NIST |
| ΔvapH° | 39.30 | kJ/mol | NIST |
| ΔvapH° | 43.10 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 39.30 | kJ/mol | NIST |
| IE | 7.80 | eV | NIST |
| logPoct/wat | 1.888 | Crippen Calculated Property | |
| McVol | 133.560 | ml/mol | McGowan Calculated Property |
| Pc | [3200.00; 3200.00] | kPa |
|
| Pc | 3200.00 | kPa | KDB |
| Pc | 3200.00 ± 31.97 | kPa | NIST |
| Inp | [849.00; 850.00] |
|
|
| Inp | 850.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 850.00 | NIST | |
| Tboil | [411.20; 412.84] | K |
|
| Tboil | 412.84 | K | KDB |
| Tboil | 411.20 | K | NIST |
| Tboil | 412.70 | K | NIST |
| Tboil | 412.50 ± 0.50 | K | NIST |
| Tboil | 411.65 ± 0.60 | K | NIST |
| Tboil | 411.95 ± 0.60 | K | NIST |
| Tboil | 412.65 ± 2.00 | K | NIST |
| Tc | [584.40; 584.40] | K |
|
| Tc | 584.40 | K | KDB |
| Tc | 584.40 ± 0.58 | K | NIST |
| Tfus | [196.00; 203.15] | K |
|
| Tfus | 199.60 | K | KDB |
| Tfus | 196.00 | K | NIST |
| Tfus | 199.65 ± 0.50 | K | NIST |
| Tfus | 203.15 ± 0.50 | K | NIST |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [39.00; 43.80] | kJ/mol | [291.00; 340.50] |
|
| ΔvapH | 39.00 | kJ/mol | 291.00 | NIST |
| ΔvapH | 39.00 | kJ/mol | 291.00 | NIST |
| ΔvapH | 43.80 | kJ/mol | 340.50 | NIST |
| ρl | 741.00 | kg/m3 | 298.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.75; 470.02] | 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 | -8.95800e+00 | |||
| Coefficient B | 8.51880e-01 | |||
| Coefficient C | -4.66400e-04 | |||
| Coefficient D | 9.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 280.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 318.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 352.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 382.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 409.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 432.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 452.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 470.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [311.80; 435.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56848e+01 | |||
| Coefficient B | -3.94237e+03 | |||
| Coefficient C | -5.57550e+01 | |||
| Temperature range, min. | 311.80 | |||
| Temperature range, max. | 435.80 | |||
| Pvap | 1.33 | kPa | 311.80 | Calculated Property |
| Pvap | 2.93 | kPa | 325.58 | Calculated Property |
| Pvap | 5.95 | kPa | 339.36 | Calculated Property |
| Pvap | 11.33 | kPa | 353.13 | Calculated Property |
| Pvap | 20.38 | kPa | 366.91 | Calculated Property |
| Pvap | 34.88 | kPa | 380.69 | Calculated Property |
| Pvap | 57.14 | kPa | 394.47 | Calculated Property |
| Pvap | 90.06 | kPa | 408.24 | Calculated Property |
| Pvap | 137.16 | kPa | 422.02 | Calculated Property |
| Pvap | 202.63 | kPa | 435.80 | Calculated Property |
| Pvap | [2.01e-04; 2905.67] | kPa | [203.15; 584.00] |
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 | 4.69121e+01 | |||
| Coefficient B | -6.47642e+03 | |||
| Coefficient C | -4.44104e+00 | |||
| Coefficient D | 1.29328e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 203.15 | |||
| Temperature range, max. | 584.00 | |||
| Pvap | 2.01e-04 | kPa | 203.15 | Calculated Property |
| Pvap | 0.02 | kPa | 245.47 | Calculated Property |
| Pvap | 0.53 | kPa | 287.78 | Calculated Property |
| Pvap | 5.36 | kPa | 330.10 | Calculated Property |
| Pvap | 30.27 | kPa | 372.42 | Calculated Property |
| Pvap | 115.55 | kPa | 414.73 | Calculated Property |
| Pvap | 334.20 | kPa | 457.05 | Calculated Property |
| Pvap | 789.67 | kPa | 499.37 | Calculated Property |
| Pvap | 1604.43 | kPa | 541.68 | Calculated Property |
| Pvap | 2905.67 | kPa | 584.00 | Calculated Property |
| Pvap | [0.13; 101.46] | kPa | [268.10; 412.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52824e+01 | |||
| Coefficient B | -4.02350e+03 | |||
| Coefficient C | -3.53570e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 268.10 | |||
| Temperature range, max. | 412.70 | |||
| Pvap | 0.13 | kPa | 268.10 | Calculated Property |
| Pvap | 0.41 | kPa | 284.17 | Calculated Property |
| Pvap | 1.10 | kPa | 300.23 | Calculated Property |
| Pvap | 2.61 | kPa | 316.30 | Calculated Property |
| Pvap | 5.67 | kPa | 332.37 | Calculated Property |
| Pvap | 11.37 | kPa | 348.43 | Calculated Property |
| Pvap | 21.29 | kPa | 364.50 | Calculated Property |
| Pvap | 37.61 | kPa | 380.57 | Calculated Property |
| Pvap | 63.15 | kPa | 396.63 | Calculated Property |
| Pvap | 101.46 | kPa | 412.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanamine, 2-methyl-N-(2-methylpropyl)-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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