Chemical Properties of 1-Butanamine, N-methyl- (CAS 110-68-9)

InChI

InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3

InChI Key

QCOGKXLOEWLIDC-UHFFFAOYSA-N

Formula

C5H13N

SMILES

CCCCNC

Molecular Weight¹

87.16

CAS

110-68-9

Other Names

• Butylamine, N-methyl-
• Butylmethylamine
• Methyl-N-butylamine
• Methylbutylamine
• N-Butyl-N-methylamine
• N-Butylmethylamine
• N-Methyl-n-butylamine
• N-Methylbutanamine
• N-Methylbutylamine
• UN 2945
• N-Methyl-1-butanamine

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• I_np : Non-polar retention indices.
• 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	0.3694		Relay (1.0) Calculated Property
ΔcH°liquid	-3684.20 ± 3.70	kJ/mol	NIST
ΔfG°	80.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-108.30 ± 4.30	kJ/mol	NIST
ΔfH°liquid	-141.20 ± 3.80	kJ/mol	NIST
ΔfusH°	13.80	kJ/mol	Joback Calculated Property
ΔvapH°	[32.90; 38.10]	kJ/mol
ΔvapH°	38.10	kJ/mol	NIST
ΔvapH°	32.90 ± 2.00	kJ/mol	NIST
ΔvapH°	32.90	kJ/mol	NIST
IE	8.09	eV	Relay (1.0) Calculated Property
log10WS	0.09		Relay (1.0) Calculated Property
logPoct/wat	1.006		Crippen Calculated Property
McVol	91.290	ml/mol	McGowan Calculated Property
Pc	3522.09	kPa	Joback Calculated Property
Inp	[601.00; 630.00]
Inp	630.00		NIST
Inp	630.00		NIST
Inp	601.00		NIST
Inp	630.00		NIST
Tboil	[363.65; 364.25]	K
Tboil	364.20	K	NIST
Tboil	364.25	K	NIST
Tboil	364.15 ± 0.60	K	NIST
Tboil	363.65 ± 3.00	K	NIST
Tc	534.68	K	Relay (1.0) Calculated Property
Tfus	[198.15; 198.20]	K
Tfus	198.15	K	NIST
Tfus	198.20 ± 0.60	K	NIST
Tfus	198.15 ± 0.60	K	NIST
Vc	0.351	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.74; 314.17]	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			-2.86700e+00
Coefficient B			5.55040e-01
Coefficient C			-2.96800e-04
Coefficient D			5.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	127.74	J/mol×K	273.00	Calculated Property
Cp,gas	158.95	J/mol×K	353.78	Calculated Property
Cp,gas	187.11	J/mol×K	434.56	Calculated Property
Cp,gas	212.39	J/mol×K	515.33	Calculated Property
Cp,gas	234.99	J/mol×K	596.11	Calculated Property
Cp,gas	255.08	J/mol×K	676.89	Calculated Property
Cp,gas	272.86	J/mol×K	757.67	Calculated Property
Cp,gas	288.51	J/mol×K	838.44	Calculated Property
Cp,gas	302.22	J/mol×K	919.22	Calculated Property
Cp,gas	314.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butanamine, N-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.