Chemical Properties of Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl- (CAS 952-80-7)

InChI

InChI=1S/C16H18/c1-13-7-3-5-9-15(13)11-12-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3

InChI Key

QFEPNMCDSBNJDB-UHFFFAOYSA-N

Formula

C16H18

SMILES

Cc1ccccc1CCc1ccccc1C

Molecular Weight¹

210.31

CAS

952-80-7

Other Names

• Benzene, 1,1'-(1,2-ethanediyl)bis*2-methyl-

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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
ω	0.5125		Relay (1.0) Calculated Property
ΔcH°solid	-8828.60 ± 2.00	kJ/mol	NIST
ΔfG°	289.40	kJ/mol	Joback Calculated Property
ΔfH°gas	102.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.50	kJ/mol	Joback Calculated Property
ΔvapH°	86.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-5.52		Relay (1.0) Calculated Property
logPoct/wat	4.089		Crippen Calculated Property
McVol	188.780	ml/mol	McGowan Calculated Property
Pc	2220.80	kPa	Joback Calculated Property
Tboil	582.58	K	Relay (1.0) Calculated Property
Tc	806.93	K	Relay (1.0) Calculated Property
Tfus	[330.00; 340.00]	K
Tfus	340.00 ± 2.00	K	NIST
Tfus	330.00 ± 4.00	K	NIST
Vc	0.711	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[235.49; 601.65]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.08680e+01
Coefficient B			1.24704e+00
Coefficient C			-7.74920e-04
Coefficient D			1.80400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.49	J/mol×K	273.00	Calculated Property
Cp,gas	301.31	J/mol×K	353.78	Calculated Property
Cp,gas	359.51	J/mol×K	434.56	Calculated Property
Cp,gas	410.67	J/mol×K	515.33	Calculated Property
Cp,gas	455.35	J/mol×K	596.11	Calculated Property
Cp,gas	494.14	J/mol×K	676.89	Calculated Property
Cp,gas	527.59	J/mol×K	757.67	Calculated Property
Cp,gas	556.28	J/mol×K	838.44	Calculated Property
Cp,gas	580.77	J/mol×K	919.22	Calculated Property
Cp,gas	601.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017643; 0.0001663]	Pa×s	[335.00; 602.70]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16574e+01
Coefficient B			1.78132e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			335.00
Temperature range, max.			602.70
η	0.0017643	Pa×s	335.00	Calculated Property
η	0.0011435	Pa×s	364.74	Calculated Property
η	0.0007913	Pa×s	394.49	Calculated Property
η	0.0005765	Pa×s	424.23	Calculated Property
η	0.0004379	Pa×s	453.98	Calculated Property
η	0.0003440	Pa×s	483.72	Calculated Property
η	0.0002779	Pa×s	513.47	Calculated Property
η	0.0002298	Pa×s	543.21	Calculated Property
η	0.0001939	Pa×s	572.96	Calculated Property
η	0.0001663	Pa×s	602.70	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(1,2-ethanediyl)bis[2-methyl-.

Sources

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

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