Chemical Properties of 1,3,5,7-Cyclooctatetraene, 1-phenyl- (CAS 4603-00-3)

InChI

InChI=1S/C14H12/c1-2-5-9-13(10-6-3-1)14-11-7-4-8-12-14/h1-12H/b2-1-,3-1-,5-2-,6-3-,9-5-,10-6-,13-9+,13-10+

InChI Key

GONKWCNPVBWYRY-ZACRBJJOSA-N

Formula

C14H12

SMILES

C1=CC=CC(c2ccccc2)=CC=C1

Molecular Weight¹

180.25

CAS

4603-00-3

Other Names

• 1-phenyl-1,3,5,7-cyclo-octatetraene

• ω : Acentric Factor.
• 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).
• I_np : Non-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	0.2476		Relay (1.0) Calculated Property
ΔfG°	297.58	kJ/mol	Joback Calculated Property
ΔfH°gas	398.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.12	kJ/mol	Joback Calculated Property
ΔvapH°	70.70	kJ/mol	Relay (1.0) Calculated Property
IE	7.61	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	3.752		Crippen Calculated Property
McVol	156.300	ml/mol	McGowan Calculated Property
Pc	3038.96	kPa	Joback Calculated Property
Inp	[279.98; 279.98]
Inp	279.98		NIST
Inp	279.98		NIST
Tboil	546.89	K	Relay (1.0) Calculated Property
Tc	770.56	K	Relay (1.0) Calculated Property
Tfus	311.84	K	Relay (1.0) Calculated Property
Vc	0.542	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.44; 444.08]	J/mol×K	[580.78; 841.19]
Cp,gas	354.44	J/mol×K	580.78	Joback Calculated Property
Cp,gas	373.01	J/mol×K	624.18	Joback Calculated Property
Cp,gas	390.04	J/mol×K	667.58	Joback Calculated Property
Cp,gas	405.58	J/mol×K	710.99	Joback Calculated Property
Cp,gas	419.72	J/mol×K	754.39	Joback Calculated Property
Cp,gas	432.53	J/mol×K	797.79	Joback Calculated Property
Cp,gas	444.08	J/mol×K	841.19	Joback Calculated Property
η	[0.0001096; 0.0032891]	Pa×s	[294.10; 580.78]
η	0.0032891	Pa×s	294.10	Joback Calculated Property
η	0.0012556	Pa×s	341.88	Joback Calculated Property
η	0.0006070	Pa×s	389.66	Joback Calculated Property
η	0.0003439	Pa×s	437.44	Joback Calculated Property
η	0.0002180	Pa×s	485.22	Joback Calculated Property
η	0.0001499	Pa×s	533.00	Joback Calculated Property
η	0.0001096	Pa×s	580.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5,7-Cyclooctatetraene, 1-phenyl-.

Sources

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

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