Chemical Properties of 2-Methyl-1,2-propanediamine (CAS 811-93-8)

InChI

InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3

InChI Key

OPCJOXGBLDJWRM-UHFFFAOYSA-N

Formula

C4H12N2

SMILES

CC(C)(N)CN

Molecular Weight¹

88.15

CAS

811-93-8

Other Names

• 1,2-Diamino-2-methylpropane
• 1,2-Propanediamine, 2-methyl-
• 2,2-dimethylethylenediamine
• 2-methyl-1,2-diaminopropane
• 2-methylpropylenediamine
• Methyl-2 propanediamine-1,2

• ω : Acentric Factor.
• 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_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).
• 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4582		Relay (1.0) Calculated Property
ΔcH°liquid	-3155.10 ± 0.59	kJ/mol	NIST
ΔfG°	118.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-90.25 ± 0.71	kJ/mol	NIST
ΔfH°liquid	-134.00 ± 0.67	kJ/mol	NIST
ΔfusH°	9.10	kJ/mol	Joback Calculated Property
ΔvapH°	[43.50; 43.80]	kJ/mol
ΔvapH°	43.60 ± 0.20	kJ/mol	NIST
ΔvapH°	43.50 ± 0.20	kJ/mol	NIST
ΔvapH°	43.60 ± 0.20	kJ/mol	NIST
ΔvapH°	43.80	kJ/mol	NIST
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-0.55		Relay (1.0) Calculated Property
logPoct/wat	-0.318		Crippen Calculated Property
McVol	87.180	ml/mol	McGowan Calculated Property
Pc	4634.00	kPa	Joback Calculated Property
S°liquid	259.53	J/mol×K	NIST
Tboil	388.19	K	Relay (1.0) Calculated Property
Tc	582.53	K	Relay (1.0) Calculated Property
Tfus	249.40	K	Relay (1.0) Calculated Property
Ttriple	256.10 ± 0.20	K	NIST
Vc	0.312	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.72; 242.80]	J/mol×K	[432.75; 643.66]
Cp,gas	187.72	J/mol×K	432.75	Joback Calculated Property
Cp,gas	198.45	J/mol×K	467.90	Joback Calculated Property
Cp,gas	208.52	J/mol×K	503.05	Joback Calculated Property
Cp,gas	217.95	J/mol×K	538.20	Joback Calculated Property
Cp,gas	226.79	J/mol×K	573.35	Joback Calculated Property
Cp,gas	235.06	J/mol×K	608.51	Joback Calculated Property
Cp,gas	242.80	J/mol×K	643.66	Joback Calculated Property
Cp,liquid	234.56	J/mol×K	298.15	NIST
ΔfusH	[2.23; 15.46]	kJ/mol	[237.50; 256.10]
ΔfusH	15.46	kJ/mol	237.50	NIST
ΔfusH	2.23	kJ/mol	256.10	NIST
ΔfusH	2.23	kJ/mol	256.10	NIST
ΔvapH	47.20	kJ/mol	274.50	NIST
Pvap	[0.29; 2.62]	kPa	[276.00; 308.70]
Pvap	0.29	kPa	276.00	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.30	kPa	276.60	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.33	kPa	277.60	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.34	kPa	278.10	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.37	kPa	279.30	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.41	kPa	280.60	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.46	kPa	282.40	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.48	kPa	282.40	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.49	kPa	283.20	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.53	kPa	284.50	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.55	kPa	284.50	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.59	kPa	286.00	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.71	kPa	288.40	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.80	kPa	290.40	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	0.92	kPa	292.50	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	1.05	kPa	294.30	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	1.14	kPa	295.90	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	1.30	kPa	297.20	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	1.42	kPa	299.00	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	1.57	kPa	300.30	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	1.75	kPa	302.00	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	2.04	kPa	304.60	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	2.25	kPa	306.10	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	2.45	kPa	307.60	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
Pvap	2.62	kPa	308.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
ΔfusS	[8.71; 65.11]	J/mol×K	[237.50; 256.10]
ΔfusS	65.11	J/mol×K	237.50	NIST
ΔfusS	8.71	J/mol×K	256.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[298.92; 406.39]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.68884e+01
Coefficient B			-4.11103e+03
Coefficient C			-5.12800e+01
Temperature range, min.			298.92
Temperature range, max.			406.39
Pvap	1.33	kPa	298.92	Calculated Property
Pvap	2.86	kPa	310.86	Calculated Property
Pvap	5.74	kPa	322.80	Calculated Property
Pvap	10.87	kPa	334.74	Calculated Property
Pvap	19.53	kPa	346.68	Calculated Property
Pvap	33.53	kPa	358.63	Calculated Property
Pvap	55.30	kPa	370.57	Calculated Property
Pvap	87.96	kPa	382.51	Calculated Property
Pvap	135.48	kPa	394.45	Calculated Property
Pvap	202.68	kPa	406.39	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-1,2-propanediamine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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