Chemical Properties of 2-Butanamine, 3-methyl- (CAS 598-74-3)

InChI

InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3

InChI Key

JOZZAIIGWFLONA-UHFFFAOYSA-N

Formula

C5H13N

SMILES

CC(C)C(C)N

Molecular Weight¹

87.16

CAS

598-74-3

Other Names

• 1,2-Dimethylpropanamine
• 1,2-Dimethylpropylamine
• 2-Amino-3-methylbutane
• 3-Methyl-2-aminobutane
• Propylamine, 1,2-dimethyl-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3493		Relay (1.0) Calculated Property
ΔfG°	52.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-142.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.86	kJ/mol	Joback Calculated Property
ΔvapH°	34.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-0.90		Relay (1.0) Calculated Property
logPoct/wat	0.990		Crippen Calculated Property
McVol	91.290	ml/mol	McGowan Calculated Property
Pc	3786.98	kPa	Joback Calculated Property
Tboil	[351.65; 358.70]	K
Tboil	358.70	K	NIST
Tboil	356.15 ± 4.00	K	NIST
Tboil	351.65 ± 5.00	K	NIST
Tc	533.04	K	Relay (1.0) Calculated Property
Tfus	212.25	K	Relay (1.0) Calculated Property
Vc	0.325	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.52; 231.82]	J/mol×K	[385.45; 575.26]
Cp,gas	173.52	J/mol×K	385.45	Joback Calculated Property
Cp,gas	184.32	J/mol×K	417.09	Joback Calculated Property
Cp,gas	194.68	J/mol×K	448.72	Joback Calculated Property
Cp,gas	204.60	J/mol×K	480.36	Joback Calculated Property
Cp,gas	214.08	J/mol×K	511.99	Joback Calculated Property
Cp,gas	223.16	J/mol×K	543.63	Joback Calculated Property
Cp,gas	231.82	J/mol×K	575.26	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[269.79; 381.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37435e+01
Coefficient B			-2.52076e+03
Coefficient C			-8.24570e+01
Temperature range, min.			269.79
Temperature range, max.			381.41
Pvap	1.33	kPa	269.79	Calculated Property
Pvap	3.07	kPa	282.19	Calculated Property
Pvap	6.43	kPa	294.59	Calculated Property
Pvap	12.39	kPa	307.00	Calculated Property
Pvap	22.30	kPa	319.40	Calculated Property
Pvap	37.86	kPa	331.80	Calculated Property
Pvap	61.13	kPa	344.20	Calculated Property
Pvap	94.50	kPa	356.61	Calculated Property
Pvap	140.69	kPa	369.01	Calculated Property
Pvap	202.66	kPa	381.41	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanamine, 3-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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