Chemical Properties of 1-Propanamine, 2-methyl-N-(2-methylpropyl)- (CAS 110-96-3)

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).
• 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• 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	0.5480		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
ΔfG°	100.99	kJ/mol	Joback Calculated Property
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
IE	7.80	eV	NIST
log10WS	-1.88		Crippen Calculated Property
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
Vc	0.506	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.42; 357.44]	J/mol×K	[431.73; 607.62]
T(K) Ideal gas heat capacity (J/mol×K) 280 300 320 340 360 450 500 550 600
Cp,gas	279.42	J/mol×K	431.73	Joback Calculated Property
Cp,gas	293.82	J/mol×K	461.04	Joback Calculated Property
Cp,gas	307.65	J/mol×K	490.36	Joback Calculated Property
Cp,gas	320.91	J/mol×K	519.67	Joback Calculated Property
Cp,gas	333.62	J/mol×K	548.99	Joback Calculated Property
Cp,gas	345.79	J/mol×K	578.30	Joback Calculated Property
Cp,gas	357.44	J/mol×K	607.62	Joback Calculated Property
ΔvapH	[39.00; 43.80]	kJ/mol	[291.00; 340.50]
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
Pvap	[1.33; 202.63]	kPa	[311.80; 435.80]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400
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 Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			4.69121e+01
Coefficient B			-6.47642e+03
Coefficient C			-4.44104e+00
Coefficient D			1.29328e-06
Temperature range, min.			203.15
Temperature range, max.			584.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 200 300 400 500
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

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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