Chemical Properties of 2-Propanamine, 2-methyl- (CAS 75-64-9)

InChI

InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3

InChI Key

YBRBMKDOPFTVDT-UHFFFAOYSA-N

Formula

C4H11N

SMILES

CC(C)(C)N

Molecular Weight¹

73.14

CAS

75-64-9

Other Names

• (1,1-dimethylethyl)amine
• 1,1-Dimethylethanamine
• 1,1-Dimethylethylamine
• 1-amino-1,1-dimethylethane
• 2-AMINEISOBUTANE
• 2-Aminoisobutane
• 2-Methyl-2-propylamine
• 2-amino-2-methylpropane
• 2-methyl-2-aminopropane
• 2-methyl-2-propanamine
• Butylamine, tert
• Butylamine, tertiary
• Erbumine
• NSC 9571
• Trimethylaminomethane
• t-Butylamine
• tert-C4H9NH2
• tert-butylamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• V_m : Molar Volume (m³/mol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2740		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff	934.10	kJ/mol	NIST
BasG	899.90	kJ/mol	NIST
ΔcH°liquid	[-2997.00; -2995.50]	kJ/mol
ΔcH°liquid	-2995.50 ± 0.42	kJ/mol	NIST
ΔcH°liquid	-2995.80 ± 1.10	kJ/mol	NIST
ΔcH°liquid	-2997.00	kJ/mol	NIST
ΔfH°gas	[-139.30; -120.00]	kJ/mol
ΔfH°gas	-120.00 ± 0.80	kJ/mol	NIST
ΔfH°gas	-120.90 ± 0.63	kJ/mol	NIST
ΔfH°gas	-120.30	kJ/mol	NIST
ΔfH°gas	-139.30	kJ/mol	NIST
ΔfH°liquid	[-169.00; -150.00]	kJ/mol
ΔfH°liquid	-150.60 ± 0.50	kJ/mol	NIST
ΔfH°liquid	-150.00 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-169.00	kJ/mol	NIST
ΔfusH°	3.90	kJ/mol	Joback Calculated Property
ΔvapH°	[29.60; 30.50]	kJ/mol
ΔvapH°	29.92	kJ/mol	NIST
ΔvapH°	Outlier 30.50	kJ/mol	NIST
ΔvapH°	29.60 ± 0.10	kJ/mol	NIST
ΔvapH°	29.64 ± 0.06	kJ/mol	NIST
ΔvapH°	29.70 ± 0.20	kJ/mol	NIST
ΔvapH°	29.70	kJ/mol	NIST
IE	[8.50; 8.83]	eV
IE	8.50 ± 0.10	eV	NIST
IE	8.83	eV	NIST
IE	8.64	eV	NIST
logPoct/wat	0.744		Crippen Calculated Property
McVol	77.200	ml/mol	McGowan Calculated Property
Pc	[3840.00; 3850.00]	kPa
Pc	3850.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Pc	3840.22	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3840.00	kPa	KDB
Pc	3840.00 ± 50.66	kPa	NIST
ρc	250.13 ± 19.75	kg/m3	NIST
Inp	[432.00; 501.00]
Inp	501.00		NIST
Inp	438.00		NIST
Inp	435.00		NIST
Inp	432.00		NIST
Inp	484.00		NIST
Inp	501.00		NIST
Inp	480.00		NIST
Inp	501.00		NIST
Ip	[712.00; 729.00]
Ip	716.00		NIST
Ip	712.00		NIST
Ip	725.00		NIST
Ip	715.00		NIST
Ip	712.00		NIST
Ip	729.00		NIST
S°liquid	233.63	J/mol×K	NIST
Tboil	[316.65; 319.20]	K
Tboil	317.55	K	Vapor Liquid Equilibrium Data for Methanol + tert-Butylamine + N,N-Dimethylformamide and Constituent Binary Systems at Atmospheric Pressure
Tboil	317.19	K	KDB
Tboil	Outlier 319.20	K	NIST
Tboil	317.60	K	NIST
Tboil	319.00	K	NIST
Tboil	317.20	K	NIST
Tboil	318.00 ± 3.00	K	NIST
Tboil	318.15 ± 1.00	K	NIST
Tboil	317.15 ± 2.00	K	NIST
Tboil	316.90 ± 0.30	K	NIST
Tboil	316.65 ± 1.50	K	NIST
Tboil	318.15 ± 2.00	K	NIST
Tboil	316.95 ± 0.40	K	NIST
Tboil	316.95 ± 0.60	K	NIST
Tc	[483.70; 483.90]	K
Tc	483.70	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Tc	483.90	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	483.90	K	KDB
Tc	483.90 ± 0.50	K	NIST
Tfus	[205.65; 206.20]	K
Tfus	205.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	206.20	K	KDB
Tfus	205.65 ± 1.50	K	NIST
Ttriple	[206.19; 206.21]	K
Ttriple	206.19	K	KDB
Ttriple	206.19 ± 0.01	K	NIST
Ttriple	206.21 ± 0.05	K	NIST
Ttriple	206.19 ± 0.01	K	NIST
Vc	[0.292; 0.293]	m3/kmol
Vc	0.293	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Vc	0.293	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.292	m3/kmol	KDB
Vm	1.07e-04	m3/mol	Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K
Zc	[0.2786900; 0.2810000]
Zc	0.2810000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Zc	0.2786900		KDB

Cheméo can also estimate 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
Cp,liquid	[190.00; 192.00]	J/mol×K	[298.15; 298.15]
Cp,liquid	191.71	J/mol×K	298.15	NIST
Cp,liquid	190.00	J/mol×K	298.15	NIST
Cp,liquid	192.00	J/mol×K	298.15	NIST
ΔfusH	0.88	kJ/mol	206.20	NIST
ΔvapH	[28.27; 30.10]	kJ/mol	[317.20; 320.50]
ΔvapH	28.27	kJ/mol	317.20	NIST
ΔvapH	30.10	kJ/mol	320.50	NIST
Pvap	101.00	kPa	317.55	Vapor Liquid Equilibrium Data for Methanol + tert-Butylamine + N,N-Dimethylformamide and Constituent Binary Systems at Atmospheric Pressure
ρl	[675.66; 692.06]	kg/m3	[293.15; 308.15]
ρl	692.06	kg/m3	293.15	Volumetric properties of binary mixtures of (acetonitrile + amines) at several temperatures with application of the ERAS model
ρl	686.65	kg/m3	298.15	Volumetric properties of binary mixtures of (acetonitrile + amines) at several temperatures with application of the ERAS model
ρl	681.18	kg/m3	303.15	Volumetric properties of binary mixtures of (acetonitrile + amines) at several temperatures with application of the ERAS model
ρl	675.66	kg/m3	308.15	Volumetric properties of binary mixtures of (acetonitrile + amines) at several temperatures with application of the ERAS model

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.25; 263.13]	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			-1.87300e+01
Coefficient B			5.71560e-01
Coefficient C			-4.09000e-04
Coefficient D			1.19300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.25	J/mol×K	273.00	Calculated Property
Cp,gas	137.57	J/mol×K	353.78	Calculated Property
Cp,gas	162.20	J/mol×K	434.56	Calculated Property
Cp,gas	183.52	J/mol×K	515.33	Calculated Property
Cp,gas	201.92	J/mol×K	596.11	Calculated Property
Cp,gas	217.76	J/mol×K	676.89	Calculated Property
Cp,gas	231.42	J/mol×K	757.67	Calculated Property
Cp,gas	243.29	J/mol×K	838.44	Calculated Property
Cp,gas	253.73	J/mol×K	919.22	Calculated Property
Cp,gas	263.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.18; 202.68]	kPa	[206.19; 339.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44182e+01
Coefficient B			-2.79208e+03
Coefficient C			-3.30890e+01
Temperature range, min.			206.19
Temperature range, max.			339.69
Pvap	0.18	kPa	206.19	Calculated Property
Pvap	0.64	kPa	221.02	Calculated Property
Pvap	1.91	kPa	235.86	Calculated Property
Pvap	4.89	kPa	250.69	Calculated Property
Pvap	11.09	kPa	265.52	Calculated Property
Pvap	22.79	kPa	280.36	Calculated Property
Pvap	43.18	kPa	295.19	Calculated Property
Pvap	76.41	kPa	310.02	Calculated Property
Pvap	127.57	kPa	324.86	Calculated Property
Pvap	202.68	kPa	339.69	Calculated Property
Pvap	[38.54; 270.04]	kPa	[292.47; 348.36]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36012e+01
Coefficient B			-2.28582e+03
Coefficient C			-6.27270e+01
Reference			Osborn and Douslin, 1968
Temperature range, min.			292.47
Temperature range, max.			348.36
Pvap	38.54	kPa	292.47	Calculated Property
Pvap	50.08	kPa	298.68	Calculated Property
Pvap	64.20	kPa	304.89	Calculated Property
Pvap	81.29	kPa	311.10	Calculated Property
Pvap	101.75	kPa	317.31	Calculated Property
Pvap	126.01	kPa	323.52	Calculated Property
Pvap	154.50	kPa	329.73	Calculated Property
Pvap	187.69	kPa	335.94	Calculated Property
Pvap	226.04	kPa	342.15	Calculated Property
Pvap	270.04	kPa	348.36	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[207.15; 317.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			4.75198e-02
Coefficient B			-1.02800e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			207.15
Temperature range, max.			317.15
γ	0.03	N/m	207.15	Calculated Property
γ	0.02	N/m	219.37	Calculated Property
γ	0.02	N/m	231.59	Calculated Property
γ	0.02	N/m	243.82	Calculated Property
γ	0.02	N/m	256.04	Calculated Property
γ	0.02	N/m	268.26	Calculated Property
γ	0.02	N/m	280.48	Calculated Property
γ	0.02	N/m	292.71	Calculated Property
γ	0.02	N/m	304.93	Calculated Property
γ	0.01	N/m	317.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanamine, 2-methyl-.

Mixtures

• 2-Propanamine, 2-methyl- + Heptane
• 2-Propanamine, 2-methyl- + Methyl Alcohol
• Benzene + 2-Propanamine, 2-methyl-
• 2-Propanamine, 2-methyl- + Acetonitrile
• 2-Propanamine, 2-methyl- + Formamide, N,N-dimethyl-
• 2-Propanamine, 2-methyl- + Formamide, N,N-dimethyl- + Methyl Alcohol
• 2-Propanamine, 2-methyl- + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-
• 2-Propanamine, 2-methyl- + Water + 2-Benzothiazolesulfenamide, N-(1,1-dimethylethyl)-

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 ChEDL chemicals 1.5.2, from Marsh, K. N.; Young, C. L.; Morton, D. W.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 9. Organic Compounds Containing Nitrogen. J. Chem. Eng. Data 2006, 51, 305-314.
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Crippen Method
• Crippen Method
• Thermodynamic study of (heptane + amine) mixtures. II. Excess and partial molar volumes at 298.15 K
• Volumetric properties of binary mixtures of (acetonitrile + amines) at several temperatures with application of the ERAS model
• Thermodynamic functions of hydrogen bonding of amines in methanol: head space analysis and solution calorimetry
• Enthalpies of solution and enthalpies of solvation of organic solutes in ethylene glycol at 298.15 K: Prediction and analysis of intermolecular interaction contributions
• Solubility of N-tert-Butylbenzothiazole-2-sulfenamide in Several Pure and Binary Solvents
• Vapor Liquid Equilibrium Data for Methanol + tert-Butylamine + N,N-Dimethylformamide and Constituent Binary Systems at Atmospheric Pressure
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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