Chemical Properties of Tricyclo[4.4.2.0(1,6)dodeca-2,4,8-triene (CAS 60329-21-7)

InChI

InChI=1S/C12H14/c1-2-6-12-8-4-3-7-11(12,5-1)9-10-12/h1-6H,7-10H2

InChI Key

ZBPOAKOSAXPANN-UHFFFAOYSA-N

Formula

C12H14

SMILES

C1=CC23CC=CCC2(C=C1)CC3

Molecular Weight¹

158.24

CAS

60329-21-7

• 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).
• 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°	282.72	kJ/mol	Joback Calculated Property
ΔfH°gas	[276.00; 276.60]	kJ/mol
ΔfH°gas	276.60	kJ/mol	NIST
ΔfH°gas	276.00	kJ/mol	NIST
ΔfusH°	4.94	kJ/mol	Joback Calculated Property
ΔvapH°	41.44	kJ/mol	Joback Calculated Property
log10WS	-3.61		Crippen Calculated Property
logPoct/wat	3.229		Crippen Calculated Property
McVol	134.460	ml/mol	McGowan Calculated Property
Pc	3568.53	kPa	Joback Calculated Property
Tboil	509.62	K	Joback Calculated Property
Tc	762.15	K	Joback Calculated Property
Tfus	322.58	K	Joback Calculated Property
Vc	0.509	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.01; 410.59]	J/mol×K	[509.62; 762.15]
Cp,gas	317.01	J/mol×K	509.62	Joback Calculated Property
Cp,gas	336.61	J/mol×K	551.71	Joback Calculated Property
Cp,gas	354.02	J/mol×K	593.80	Joback Calculated Property
Cp,gas	369.69	J/mol×K	635.89	Joback Calculated Property
Cp,gas	384.05	J/mol×K	677.98	Joback Calculated Property
Cp,gas	397.54	J/mol×K	720.06	Joback Calculated Property
Cp,gas	410.59	J/mol×K	762.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.4.2.0(1,6)dodeca-2,4,8-triene.

Sources

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

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