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_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).
• 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).
• 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_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°gas	-6632.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-91.00 ± 2.00	kJ/mol	NIST
ΔfusH°	35.34	kJ/mol	Joback Calculated Property
IE	6.76	eV	Relay (1.0) Calculated Property
log10WS	-3.34		Relay (1.0) Calculated Property
logPoct/wat	1.808		Crippen Calculated Property
McVol	178.210	ml/mol	McGowan 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	676.59	K	Relay (1.0) Calculated Property
Tfus	501.05	K	Relay (1.0) Calculated Property
Ttriple	[402.60; 402.60]	K
Ttriple	402.60 ± 0.10	K	NIST
Ttriple	402.60 ± 0.10	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.28; 570.05]	J/mol×K	[859.98; 1128.16]
Cp,gas	521.28	J/mol×K	859.98	Joback Calculated Property
Cp,gas	532.18	J/mol×K	904.68	Joback Calculated Property
Cp,gas	541.91	J/mol×K	949.37	Joback Calculated Property
Cp,gas	550.53	J/mol×K	994.07	Joback Calculated Property
Cp,gas	558.06	J/mol×K	1038.77	Joback Calculated Property
Cp,gas	564.56	J/mol×K	1083.47	Joback Calculated Property
Cp,gas	570.05	J/mol×K	1128.16	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
ΔfusH	25.30	kJ/mol	425.10	NIST
ΔfusS	[62.80; 62.80]	J/mol×K	[425.10; 425.10]
ΔfusS	62.80	J/mol×K	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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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