Chemical Properties of Tricyclo[5.2.1.0(2.6)]deca-3,8-diene, 1,4-dimethyl

InChI

InChI=1S/C12H16/c1-8-5-10-9-3-4-12(2,7-9)11(10)6-8/h3-4,6,9-11H,5,7H2,1-2H3

InChI Key

LQCOQEHQUPKMBA-UHFFFAOYSA-N

Formula

C12H16

SMILES

CC1=CC2C(C1)C1C=CC2(C)C1

Molecular Weight¹

160.26

• 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).
• 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
ΔfG°	257.40	kJ/mol	Joback Calculated Property
ΔfH°gas	20.22	kJ/mol	Joback Calculated Property
ΔfusH°	15.97	kJ/mol	Joback Calculated Property
ΔvapH°	42.00	kJ/mol	Joback Calculated Property
log10WS	-3.27		Crippen Calculated Property
logPoct/wat	3.165		Crippen Calculated Property
McVol	138.760	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Inp	[1079.50; 1121.40]
Inp	1108.00		NIST
Inp	1099.00		NIST
Inp	1086.70		NIST
Inp	1079.50		NIST
Inp	1121.40		NIST
Inp	1111.10		NIST
Inp	1108.00		NIST
Inp	1111.10		NIST
Tboil	497.32	K	Joback Calculated Property
Tc	719.64	K	Joback Calculated Property
Tfus	309.00	K	Joback Calculated Property
Vc	0.539	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[335.53; 431.80]	J/mol×K	[497.32; 719.64]
Cp,gas	335.53	J/mol×K	497.32	Joback Calculated Property
Cp,gas	354.90	J/mol×K	534.37	Joback Calculated Property
Cp,gas	372.68	J/mol×K	571.43	Joback Calculated Property
Cp,gas	389.05	J/mol×K	608.48	Joback Calculated Property
Cp,gas	404.23	J/mol×K	645.54	Joback Calculated Property
Cp,gas	418.42	J/mol×K	682.59	Joback Calculated Property
Cp,gas	431.80	J/mol×K	719.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[5.2.1.0(2.6)]deca-3,8-diene, 1,4-dimethyl.

Sources

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

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