Chemical Properties of Dewar benzene, hexamethyl- (CAS 7641-77-2)

InChI

InChI=1S/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3

InChI Key

RVNQQZMIWZPGNA-UHFFFAOYSA-N

Formula

C12H18

SMILES

CC1=C(C)C2(C)C(C)=C(C)C12C

Molecular Weight¹

162.27

CAS

7641-77-2

Other Names

• Bicyclo[2.2.0]hexa-2,5-diene, 1,2,3,4,5,6-hexamethyl-
• Hexamethyl Dewar benzene
• Hexamethylbicyclo[2.2.0]hexa-2,5-diene
• 1,2,3,4,5,6-Hexamethylbicyclo[2.2.0]hexa-2,5-diene
• Bicyclo(2.2.0)hexa-2,5-diene, hexamethyl-
• 2-Butin hexamethyl-dewar-benzol
• Hexamethyl-bicyclo(2.2.0)hexa-2,5-dien
• 1,2,3,4,5,6-hexamethylbicyclo(2,2,0)hexa-2,5-diene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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
ΔcH°liquid	-7385.00 ± 4.60	kJ/mol	NIST
ΔfG°	182.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-45.25	kJ/mol	Joback Calculated Property
ΔfH°liquid	-90.40	kJ/mol	NIST
ΔfusH°	11.40	kJ/mol	Joback Calculated Property
ΔvapH°	43.06	kJ/mol	Joback Calculated Property
IE	[7.83; 7.92]	eV
IE	7.83	eV	NIST
IE	7.92	eV	NIST
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.699		Crippen Calculated Property
McVol	149.620	ml/mol	McGowan Calculated Property
Pc	2480.12	kPa	Joback Calculated Property
Tboil	506.16	K	Joback Calculated Property
Tc	716.55	K	Joback Calculated Property
Tfus	360.28	K	Joback Calculated Property
Vc	0.590	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.00; 429.68]	J/mol×K	[506.16; 716.55]
Cp,gas	351.00	J/mol×K	506.16	Joback Calculated Property
Cp,gas	366.37	J/mol×K	541.23	Joback Calculated Property
Cp,gas	380.56	J/mol×K	576.29	Joback Calculated Property
Cp,gas	393.77	J/mol×K	611.36	Joback Calculated Property
Cp,gas	406.21	J/mol×K	646.42	Joback Calculated Property
Cp,gas	418.11	J/mol×K	681.49	Joback Calculated Property
Cp,gas	429.68	J/mol×K	716.55	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Dewar benzene, hexamethyl-.

Sources

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

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