Chemical Properties of 4,4'-oxybis(benzene-1,2-diamine) (CAS 2676-59-7)

InChI

InChI=1S/C12H14N4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H,13-16H2

InChI Key

RQBIGPMJQUKYAH-UHFFFAOYSA-N

Formula

C12H14N4O

SMILES

Nc1ccc(Oc2ccc(N)c(N)c2)cc1N

Molecular Weight¹

230.27

CAS

2676-59-7

Other Names

• 3,3',4,4'-Tetraminodiphenyl ether

• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid 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).
• 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid 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
ΔcH°gas	-6632.00 ± 2.00	kJ/mol	NIST
ΔfG°	397.26	kJ/mol	Joback Calculated Property
ΔfH°gas	139.11	kJ/mol	Joback Calculated Property
ΔfH°liquid	-91.00 ± 2.00	kJ/mol	NIST
ΔfusH°	35.34	kJ/mol	Joback Calculated Property
ΔvapH°	94.48	kJ/mol	Joback Calculated Property
log10WS	-1.64		Crippen Calculated Property
logPoct/wat	1.808		Crippen Calculated Property
McVol	178.210	ml/mol	McGowan Calculated Property
Pc	4124.99	kPa	Joback Calculated Property
S°solid,1 bar	[293.90; 295.10]	J/mol×K
S°solid,1 bar	293.90	J/mol×K	NIST
S°solid,1 bar	295.10	J/mol×K	NIST
Tboil	859.78	K	Joback Calculated Property
Tc	1127.90	K	Joback Calculated Property
Tfus	683.19	K	Joback Calculated Property
Ttriple	402.60 ± 0.10	K	NIST
Vc	0.625	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.23; 570.02]	J/mol×K	[859.78; 1127.90]
Cp,gas	521.23	J/mol×K	859.78	Joback Calculated Property
Cp,gas	532.13	J/mol×K	904.47	Joback Calculated Property
Cp,gas	541.87	J/mol×K	949.15	Joback Calculated Property
Cp,gas	550.49	J/mol×K	993.84	Joback Calculated Property
Cp,gas	558.03	J/mol×K	1038.53	Joback Calculated Property
Cp,gas	564.52	J/mol×K	1083.21	Joback Calculated Property
Cp,gas	570.02	J/mol×K	1127.90	Joback Calculated Property
Cp,solid	[320.24; 400.00]	J/mol×K	[300.00; 300.00]
Cp,solid	400.00	J/mol×K	300.00	NIST
Cp,solid	320.24	J/mol×K	300.00	NIST
ΔfusH	[25.30; 25.30]	kJ/mol	[402.60; 425.10]
ΔfusH	25.30	kJ/mol	402.60	NIST
ΔfusH	25.30	kJ/mol	425.10	NIST
ΔfusS	62.80	J/mol×K	425.10	NIST

Similar Compounds

Find more compounds similar to 4,4'-oxybis(benzene-1,2-diamine).

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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