Chemical Properties of 7,7'-bis(Cycloheptatrienyl) (CAS 39473-62-6)

InChI

InChI=1S/C14H14/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h1-14H

InChI Key

DMVKBMNNLFFZBY-UHFFFAOYSA-N

Formula

C14H14

SMILES

C1=CC=CC(C2C=CC=CC=C2)C=C1

Molecular Weight¹

182.26

CAS

39473-62-6

Other Names

• Bicycloheptatrienyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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°	271.46	kJ/mol	Joback Calculated Property
ΔfH°gas	110.71	kJ/mol	Joback Calculated Property
ΔfusH°	18.82	kJ/mol	Joback Calculated Property
ΔvapH°	49.71	kJ/mol	Joback Calculated Property
IE	[8.20; 8.62]	eV
IE	8.20	eV	NIST
IE	8.62	eV	NIST
log10WS	-4.11		Crippen Calculated Property
logPoct/wat	3.583		Crippen Calculated Property
McVol	160.600	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Tboil	562.32	K	Joback Calculated Property
Tc	818.01	K	Joback Calculated Property
Tfus	259.82	K	Joback Calculated Property
Vc	0.586	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[376.84; 483.36]	J/mol×K	[562.32; 818.01]
Cp,gas	376.84	J/mol×K	562.32	Joback Calculated Property
Cp,gas	398.71	J/mol×K	604.94	Joback Calculated Property
Cp,gas	418.84	J/mol×K	647.55	Joback Calculated Property
Cp,gas	437.31	J/mol×K	690.17	Joback Calculated Property
Cp,gas	454.17	J/mol×K	732.78	Joback Calculated Property
Cp,gas	469.50	J/mol×K	775.40	Joback Calculated Property
Cp,gas	483.36	J/mol×K	818.01	Joback Calculated Property
η	[0.0001444; 0.0051829]	Pa×s	[259.82; 562.32]
η	0.0051829	Pa×s	259.82	Joback Calculated Property
η	0.0017571	Pa×s	310.24	Joback Calculated Property
η	0.0008061	Pa×s	360.65	Joback Calculated Property
η	0.0004477	Pa×s	411.07	Joback Calculated Property
η	0.0002827	Pa×s	461.49	Joback Calculated Property
η	0.0001955	Pa×s	511.90	Joback Calculated Property
η	0.0001444	Pa×s	562.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7,7'-bis(Cycloheptatrienyl).

Sources

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

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