Chemical Properties of 5-(4-Chlorophenyl)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol

InChI

InChI=1S/C21H17ClO/c22-18-13-11-17(12-14-18)21(23)19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)21/h1-8,11-14,23H,9-10H2

InChI Key

OFXNZLUQVYCHQK-UHFFFAOYSA-N

Formula

C21H17ClO

SMILES

OC1(c2ccc(Cl)cc2)c2ccccc2CCc2ccccc21

Molecular Weight¹

320.81

• ω : Acentric Factor.
• 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).
• 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.
• 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
ω	0.7158		Relay (1.0) Calculated Property
ΔfG°	340.79	kJ/mol	Joback Calculated Property
ΔfH°gas	108.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.22	kJ/mol	Joback Calculated Property
ΔvapH°	124.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	4.723		Crippen Calculated Property
McVol	242.720	ml/mol	McGowan Calculated Property
Pc	2365.67	kPa	Joback Calculated Property
Inp	[2605.00; 2605.00]
Inp	2605.00		NIST
Inp	2605.00		NIST
I	3822.00		NIST
Tboil	685.19	K	Relay (1.0) Calculated Property
Tc	1037.23	K	Relay (1.0) Calculated Property
Tfus	412.67	K	Relay (1.0) Calculated Property
Vc	0.862	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[716.71; 827.61]	J/mol×K	[911.45; 1167.18]
Cp,gas	716.71	J/mol×K	911.45	Joback Calculated Property
Cp,gas	733.59	J/mol×K	954.07	Joback Calculated Property
Cp,gas	750.70	J/mol×K	996.69	Joback Calculated Property
Cp,gas	768.36	J/mol×K	1039.32	Joback Calculated Property
Cp,gas	786.85	J/mol×K	1081.94	Joback Calculated Property
Cp,gas	806.50	J/mol×K	1124.56	Joback Calculated Property
Cp,gas	827.61	J/mol×K	1167.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-(4-Chlorophenyl)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol.

Sources

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

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