Chemical Properties of Bicyclohexyl-3,3'-diene

InChI

InChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-3,5,11-12H,4,6-10H2

InChI Key

FRQGUZFVAWVQLA-UHFFFAOYSA-N

Formula

C12H18

SMILES

C1=CCC(C2CC=CCC2)CC1

Molecular Weight¹

162.27

• 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_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°	158.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-66.81	kJ/mol	Joback Calculated Property
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
ΔvapH°	43.75	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.699		Crippen Calculated Property
McVol	149.620	ml/mol	McGowan Calculated Property
Pc	2805.41	kPa	Joback Calculated Property
Inp	[1301.00; 1340.00]
Inp	1301.00		NIST
Inp	1301.00		NIST
Inp	1340.00		NIST
Tboil	511.38	K	Joback Calculated Property
Tc	748.33	K	Joback Calculated Property
Tfus	241.28	K	Joback Calculated Property
Vc	0.545	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.94; 469.20]	J/mol×K	[511.38; 748.33]
Cp,gas	349.94	J/mol×K	511.38	Joback Calculated Property
Cp,gas	373.54	J/mol×K	550.87	Joback Calculated Property
Cp,gas	395.57	J/mol×K	590.36	Joback Calculated Property
Cp,gas	416.09	J/mol×K	629.85	Joback Calculated Property
Cp,gas	435.17	J/mol×K	669.35	Joback Calculated Property
Cp,gas	452.85	J/mol×K	708.84	Joback Calculated Property
Cp,gas	469.20	J/mol×K	748.33	Joback Calculated Property
η	[0.0002539; 0.0067331]	Pa×s	[241.28; 511.38]
η	0.0067331	Pa×s	241.28	Joback Calculated Property
η	0.0025376	Pa×s	286.30	Joback Calculated Property
η	0.0012468	Pa×s	331.31	Joback Calculated Property
η	0.0007261	Pa×s	376.33	Joback Calculated Property
η	0.0004747	Pa×s	421.35	Joback Calculated Property
η	0.0003368	Pa×s	466.36	Joback Calculated Property
η	0.0002539	Pa×s	511.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclohexyl-3,3'-diene.

Sources

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

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