Chemical Properties of Benzocycloheptatriene (CAS 264-09-5)

InChI

InChI=1S/C11H10/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-6,8-9H,7H2

InChI Key

XHVULKQHRQZNMW-UHFFFAOYSA-N

Formula

C11H10

SMILES

C1=CCc2ccccc2C=C1

Molecular Weight¹

142.20

CAS

264-09-5

Other Names

• 3,4-Benzotropilidene

• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	248.70	kJ/mol	Joback Calculated Property
ΔfH°gas	151.07	kJ/mol	Joback Calculated Property
ΔfusH°	13.21	kJ/mol	Joback Calculated Property
ΔvapH°	44.17	kJ/mol	Joback Calculated Property
log10WS	-3.26		Crippen Calculated Property
logPoct/wat	2.812		Crippen Calculated Property
McVol	122.630	ml/mol	McGowan Calculated Property
Pc	3572.80	kPa	Joback Calculated Property
Inp	[220.30; 220.30]
Inp	220.30		NIST
Inp	220.30		NIST
Tboil	501.01	K	Joback Calculated Property
Tc	743.67	K	Joback Calculated Property
Tfus	269.33	K	Joback Calculated Property
Vc	0.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.65; 329.61]	J/mol×K	[501.01; 743.67]
Cp,gas	251.65	J/mol×K	501.01	Joback Calculated Property
Cp,gas	267.47	J/mol×K	541.45	Joback Calculated Property
Cp,gas	282.05	J/mol×K	581.90	Joback Calculated Property
Cp,gas	295.48	J/mol×K	622.34	Joback Calculated Property
Cp,gas	307.83	J/mol×K	662.79	Joback Calculated Property
Cp,gas	319.18	J/mol×K	703.23	Joback Calculated Property
Cp,gas	329.61	J/mol×K	743.67	Joback Calculated Property
η	[0.0002615; 0.0024177]	Pa×s	[269.33; 501.01]
η	0.0024177	Pa×s	269.33	Joback Calculated Property
η	0.0013227	Pa×s	307.94	Joback Calculated Property
η	0.0008278	Pa×s	346.56	Joback Calculated Property
η	0.0005691	Pa×s	385.17	Joback Calculated Property
η	0.0004189	Pa×s	423.78	Joback Calculated Property
η	0.0003245	Pa×s	462.40	Joback Calculated Property
η	0.0002615	Pa×s	501.01	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzocycloheptatriene.

Sources

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

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