Chemical Properties of 1,3-Benzenedimethanamine (CAS 1477-55-0)

InChI

InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2

InChI Key

FDLQZKYLHJJBHD-UHFFFAOYSA-N

Formula

C8H12N2

SMILES

NCc1cccc(CN)c1

Molecular Weight¹

136.19

CAS

1477-55-0

Other Names

• m-Xylene-«alpha»,«alpha»'-diamine
• «alpha»,«alpha»'-m-Xylenediamine
• «alpha»,«alpha»'-Diamino-m-xylene
• m-Xylylenediamine
• 1,3-Bis(aminomethyl)benzene
• 1,3-Xylylenediamine
• m-Phenylenebis(methylamine)
• m-Xylylendiamin
• Methylamine, m-phenylenebis-
• MXDA
• 1,3-Bis-aminomethylbenzen
• NSC 61568
• Epilink MX

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : 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_boilr : Boiling point at reduced pressure (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	0.5438		Relay (1.0) Calculated Property
ΔfH°gas	62.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.52	kJ/mol	Joback Calculated Property
ΔvapH°	73.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-1.18		Relay (1.0) Calculated Property
logPoct/wat	0.604		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	4130.29	kPa	Joback Calculated Property
Inp	[1328.20; 1328.20]
Inp	1328.20		NIST
Inp	1328.20		NIST
Tboil	[519.50; 520.20]	K
Tboil	520.20	K	NIST
Tboil	519.50 ± 1.50	K	NIST
Tc	758.35	K	Relay (1.0) Calculated Property
Tfus	287.12	K	Relay (1.0) Calculated Property
Vc	0.406	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[413.00; 538.20]	K	[1.90; 99.30]
Tboilr	413.00	K	1.90	NIST
Tboilr	538.20	K	99.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.23; 382.43]	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			-1.10080e+01
Coefficient B			7.49200e-01
Coefficient C			-4.62360e-04
Coefficient D			1.06600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.23	J/mol×K	273.00	Calculated Property
Cp,gas	200.89	J/mol×K	353.78	Calculated Property
Cp,gas	236.00	J/mol×K	434.56	Calculated Property
Cp,gas	266.88	J/mol×K	515.33	Calculated Property
Cp,gas	293.88	J/mol×K	596.11	Calculated Property
Cp,gas	317.33	J/mol×K	676.89	Calculated Property
Cp,gas	337.58	J/mol×K	757.67	Calculated Property
Cp,gas	354.95	J/mol×K	838.44	Calculated Property
Cp,gas	369.79	J/mol×K	919.22	Calculated Property
Cp,gas	382.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenedimethanamine.

Sources

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

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