1,2-Propanediamine (CAS 78-90-0)

InChI

InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3

InChI Key

AOHJOMMDDJHIJH-UHFFFAOYSA-N

Formula

C3H10N2

SMILES

CC(N)CN

Molecular Weight¹

74.12

CAS

78-90-0

Other Names

1,2-DIAMINOPROPANE
1,2-Propylenediamine
PROPYLENEDIAMINE
UN 2258

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).
ρ_l : Liquid Density (kg/m³).
I : Polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
γ : Surface Tension (N/m).
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.4476		Relay (1.0) Calculated Property
Δ_cH°_liquid	-2511.90 ± 0.30	kJ/mol	NIST
Δ_fG°	104.84	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-53.60 ± 0.46	kJ/mol	NIST
Δ_fH°_liquid	-97.80 ± 0.40	kJ/mol	NIST
Δ_fusH°	10.40	kJ/mol	Joback Calculated Property
Δ_vapH°	[43.90; 44.20]	kJ/mol
Δ_vapH°	44.20 ± 0.20	kJ/mol	NIST
Δ_vapH°	43.90 ± 0.20	kJ/mol	NIST
Δ_vapH°	44.20 ± 0.20	kJ/mol	NIST
Δ_vapH°	44.20	kJ/mol	NIST
Δ_vapH°	43.90 ± 0.20	kJ/mol	NIST
IE	9.07	eV	Relay (1.0) Calculated Property
log₁₀WS	0.36		Relay (1.0) Calculated Property
logP_oct/wat	-0.708		Crippen Calculated Property
McVol	73.090	ml/mol	McGowan Calculated Property
P_c	5220.69	kPa	Joback Calculated Property
I	[1199.00; 1228.00]
I	1201.00		NIST
I	1228.00		NIST
I	1200.00		NIST
I	1199.00		NIST
I	1225.00		NIST
I	1201.00		NIST
S°_liquid	247.27	J/mol×K	NIST
T_boil	[390.50; 394.10]	K
T_boil	392.70	K	NIST
T_boil	394.10	K	NIST
T_boil	390.50 ± 0.30	K	NIST
T_c	574.72	K	Relay (1.0) Calculated Property
T_fus	[236.00; 236.00]	K
T_fus	236.00	K	NIST
T_fus	236.00 ± 0.60	K	NIST
T_triple	[236.53; 236.53]	K
T_triple	236.53 ± 0.03	K	NIST
T_triple	236.53 ± 0.03	K	NIST
V_c	0.259	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[148.34; 193.14]	J/mol×K	[412.66; 616.86]

C_p,gas	148.34	J/mol×K	412.66	Joback Calculated Property
C_p,gas	156.74	J/mol×K	446.69	Joback Calculated Property
C_p,gas	164.75	J/mol×K	480.73	Joback Calculated Property
C_p,gas	172.39	J/mol×K	514.76	Joback Calculated Property
C_p,gas	179.66	J/mol×K	548.79	Joback Calculated Property
C_p,gas	186.57	J/mol×K	582.83	Joback Calculated Property
C_p,gas	193.14	J/mol×K	616.86	Joback Calculated Property
C_p,liquid	205.64	J/mol×K	298.15	NIST
Δ_fusH	[0.07; 18.42]	kJ/mol	[222.00; 236.50]
Δ_fusH	0.07	kJ/mol	222.00	NIST
Δ_fusH	18.42	kJ/mol	236.50	NIST
Δ_fusH	18.42	kJ/mol	236.50	NIST
Δ_vapH	[42.20; 47.20]	kJ/mol	[267.50; 343.00]
Δ_vapH	47.20	kJ/mol	267.50	NIST
Δ_vapH	47.20	kJ/mol	267.50	NIST
Δ_vapH	42.20	kJ/mol	343.00	NIST
P_vap	[0.27; 36.33]	kPa	[273.80; 363.91]

P_vap	0.27	kPa	273.80	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.30	kPa	274.90	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.34	kPa	276.60	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.35	kPa	277.00	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.40	kPa	279.10	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.42	kPa	279.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.46	kPa	281.30	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.53	kPa	282.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.52	kPa	283.20	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.59	kPa	284.01	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	0.62	kPa	285.30	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.63	kPa	285.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.72	kPa	287.30	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.79	kPa	288.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.83	kPa	289.20	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.95	kPa	291.20	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	0.95	kPa	291.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	1.07	kPa	293.10	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	1.15	kPa	293.98	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	1.15	kPa	293.98	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	1.15	kPa	293.98	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	1.19	kPa	294.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	1.23	kPa	295.20	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	1.36	kPa	297.10	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	1.42	kPa	297.60	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	1.56	kPa	299.10	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	1.63	kPa	299.60	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	1.82	kPa	301.20	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	1.84	kPa	301.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	2.07	kPa	303.20	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	2.10	kPa	303.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	2.10	kPa	303.91	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	2.10	kPa	303.91	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	2.10	kPa	303.91	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	2.35	kPa	305.70	Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study
P_vap	3.67	kPa	313.84	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	3.67	kPa	313.84	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	3.66	kPa	313.84	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	6.24	kPa	324.02	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	10.11	kPa	334.00	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	36.33	kPa	363.91	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
P_vap	36.31	kPa	363.91	Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
ρ_l	857.09	kg/m³	298.15	Excess enthalpies of binary mixtures of some propylamines + some propanols at 298.15K
Δ_fusS	[0.30; 77.89]	J/mol×K	[222.00; 236.50]
Δ_fusS	0.30	J/mol×K	222.00	NIST
Δ_fusS	77.89	J/mol×K	236.50	NIST
γ	[0.03; 0.04]	N/m	[283.15; 323.15]

γ	0.04	N/m	283.15	Surface Tension and Refractive Index of Benzylamine and 1,2-Diaminopropane Aqueous Solutions from T = (283.15 to 323.15) K
γ	0.03	N/m	293.15	Surface Tension and Refractive Index of Benzylamine and 1,2-Diaminopropane Aqueous Solutions from T = (283.15 to 323.15) K
γ	0.03	N/m	303.15	Surface Tension and Refractive Index of Benzylamine and 1,2-Diaminopropane Aqueous Solutions from T = (283.15 to 323.15) K
γ	0.03	N/m	313.15	Surface Tension and Refractive Index of Benzylamine and 1,2-Diaminopropane Aqueous Solutions from T = (283.15 to 323.15) K
γ	0.03	N/m	323.15	Surface Tension and Refractive Index of Benzylamine and 1,2-Diaminopropane Aqueous Solutions from T = (283.15 to 323.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.65]	kPa	[295.99; 415.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53843e+01
Coefficient B			-3.62959e+03
Coefficient C			-5.55640e+01
Temperature range, min.			295.99
Temperature range, max.			415.90

P_vap	1.33	kPa	295.99	Calculated Property
P_vap	2.95	kPa	309.31	Calculated Property
P_vap	6.01	kPa	322.64	Calculated Property
P_vap	11.47	kPa	335.96	Calculated Property
P_vap	20.63	kPa	349.28	Calculated Property
P_vap	35.27	kPa	362.61	Calculated Property
P_vap	57.67	kPa	375.93	Calculated Property
P_vap	90.66	kPa	389.25	Calculated Property
P_vap	137.65	kPa	402.58	Calculated Property
P_vap	202.65	kPa	415.90	Calculated Property
P_vap	[9.39e-03; 5375.60]	kPa	[236.53; 587.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			1.02248e+02
Coefficient B			-8.88258e+03
Coefficient C			-1.27764e+01
Coefficient D			8.48531e-06
Temperature range, min.			236.53
Temperature range, max.			587.00

P_vap	9.39e-03	kPa	236.53	Calculated Property
P_vap	0.32	kPa	275.47	Calculated Property
P_vap	3.90	kPa	314.41	Calculated Property
P_vap	24.64	kPa	353.35	Calculated Property
P_vap	100.51	kPa	392.29	Calculated Property
P_vap	304.25	kPa	431.24	Calculated Property
P_vap	747.78	kPa	470.18	Calculated Property
P_vap	1586.15	kPa	509.12	Calculated Property
P_vap	3030.20	kPa	548.06	Calculated Property
P_vap	5375.60	kPa	587.00	Calculated Property

Similar Compounds

Phosphorothioic acid, S-2,3-diaminopropyl ester.

Find more compounds similar to 1,2-Propanediamine.

Mixtures

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