Chemical Properties of 11-(4-Methoxyphenyl)-6,11-dihydrodibenzo[b,e]oxepin-11-ol

InChI

InChI=1S/C21H18O3/c1-23-17-12-10-16(11-13-17)21(22)18-7-3-2-6-15(18)14-24-20-9-5-4-8-19(20)21/h2-13,22H,14H2,1H3

InChI Key

HUFIZHPVTCKYGH-UHFFFAOYSA-N

Formula

C21H18O3

SMILES

COc1ccc(C2(O)c3ccccc3COc3ccccc32)cc1

Molecular Weight¹

318.37

• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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
ΔfG°	161.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.00	kJ/mol	Joback Calculated Property
ΔfusH°	36.19	kJ/mol	Joback Calculated Property
ΔvapH°	93.52	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	3.872		Crippen Calculated Property
McVol	242.220	ml/mol	McGowan Calculated Property
Pc	2391.19	kPa	Joback Calculated Property
Inp	2653.00		NIST
I	[3649.00; 3649.00]
I	3649.00		NIST
I	3649.00		NIST
Tboil	923.39	K	Joback Calculated Property
Tc	1171.60	K	Joback Calculated Property
Tfus	594.71	K	Joback Calculated Property
Vc	0.900	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.79; 857.17]	J/mol×K	[923.39; 1171.60]
Cp,gas	750.79	J/mol×K	923.39	Joback Calculated Property
Cp,gas	767.51	J/mol×K	964.76	Joback Calculated Property
Cp,gas	784.30	J/mol×K	1006.13	Joback Calculated Property
Cp,gas	801.42	J/mol×K	1047.50	Joback Calculated Property
Cp,gas	819.10	J/mol×K	1088.86	Joback Calculated Property
Cp,gas	837.60	J/mol×K	1130.23	Joback Calculated Property
Cp,gas	857.17	J/mol×K	1171.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 11-(4-Methoxyphenyl)-6,11-dihydrodibenzo[b,e]oxepin-11-ol.

Sources

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

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