Chemical Properties of Isobutylamine (CAS 78-81-9)

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-Methyl-1-propanamine
• 2-Methylpropanamine
• 2-Methylpropylamine
• 3-Methyl-2-propylamine
• Monoisobutylamine
• NSC 8028
• UN 1214
• Valamine
• i-Butylamine
• iso-C4H9NH2

• 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_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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• I_np : Non-polar retention indices.
• I : 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).
• V_m : Molar Volume (m³/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
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°	34.75	kJ/mol	Joback Calculated Property
IE	[8.50; 8.70]	eV
IE	8.50 ± 0.10	eV	NIST
IE	8.70	eV	NIST
log10WS	-0.69		Crippen 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	0.282	m3/kmol	Joback Calculated Property
Vm	1.01e-04	m3/mol	Thermod...

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.58; 187.35]	J/mol×K	[363.01; 549.17]
T(K) Ideal gas heat capacity (J/mol×K) 140 150 160 170 180 190 400 450 500 550
Cp,gas	138.58	J/mol×K	363.01	Joback Calculated Property
Cp,gas	147.57	J/mol×K	394.04	Joback Calculated Property
Cp,gas	156.20	J/mol×K	425.06	Joback Calculated Property
Cp,gas	164.49	J/mol×K	456.09	Joback Calculated Property
Cp,gas	172.44	J/mol×K	487.12	Joback Calculated Property
Cp,gas	180.06	J/mol×K	518.14	Joback Calculated Property
Cp,gas	187.35	J/mol×K	549.17	Joback Calculated Property
Cp,liquid	194.00	J/mol×K	298.15	NIST
ΔvapH	[30.61; 37.60]	kJ/mol	[297.50; 340.70]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 30 32 34 36 38 300 320 340
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
Pvap	[2.86e-03; 20044.30]	kPa	[188.55; 664.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.78232e+01
Coefficient B			-6.17764e+03
Coefficient C			-7.84560e+00
Coefficient D			5.37349e-06
Temperature range, min.			188.55
Temperature range, max.			664.00
T(K) Vapor pressure (kPa) 0 5000 10000 15000 20000 200 400 600
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

Similar Compounds

Find more compounds similar to Isobutylamine.

Mixtures

• Isobutylamine + Heptane

Sources

• KDB Vapor Pressure Data
• 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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