Chemical Properties of Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis- (CAS 1889-67-4)

InChI

InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3

InChI Key

HGTUJZTUQFXBIH-UHFFFAOYSA-N

Formula

C18H22

SMILES

CC(C)(c1ccccc1)C(C)(C)c1ccccc1

Molecular Weight¹

238.37

CAS

1889-67-4

Other Names

• 1,1'-(1,1,2,2-tetramethylethylene)dibenzene
• 1,1'-[1,1,2,2-Tetramethyl-1,2-ethandiyl]bis[benzene]
• 1,1,2,2-Tetramethyl-1,2-diphenylethane
• 1,2-DIPHENYLTETRAMETHYLETHANE
• 2,3-Dimethyl-2,3-diphenylbutane
• 2,3-Diphenyl-2,3-dimethylbutane
• Bibenzyl, «alpha»,«alpha»,«alpha»',«alpha»'-tetramethyl-
• Bibenzyl, «alpha»,«alpha»,«alpha»',«alpha»'-tetramethyl-
• Bicumyl
• Butane, 2,3-dimethyl-2,3-diphenyl-
• DICUMENE
• Dicumyl
• Interox CC-DFB
• NSC 34859
• Perkadox 30
• «alpha»,«alpha»'-Dicumyl
• «alpha»,«alpha»'-Dicumyl

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor 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
ΔcH°solid	-10188.00 ± 3.00	kJ/mol	NIST
ΔfG°	331.18	kJ/mol	Joback Calculated Property
ΔfH°gas	57.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-39.30 ± 3.00	kJ/mol	NIST
ΔfusH°	15.63	kJ/mol	Joback Calculated Property
ΔsubH°	[96.30; 96.70]	kJ/mol
ΔsubH°	96.70 ± 0.80	kJ/mol	NIST
ΔsubH°	96.30	kJ/mol	NIST
ΔvapH°	57.62	kJ/mol	Joback Calculated Property
log10WS	-4.91		Crippen Calculated Property
logPoct/wat	4.942		Crippen Calculated Property
McVol	216.960	ml/mol	McGowan Calculated Property
Pc	1982.35	kPa	Joback Calculated Property
Tboil	658.14	K	Joback Calculated Property
Tc	907.10	K	Joback Calculated Property
Tfus	[392.00; 393.00]	K
Tfus	392.00 ± 1.00	K	NIST
Tfus	393.00 ± 4.00	K	NIST
Vc	0.805	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[583.19; 686.23]	J/mol×K	[658.14; 907.10]
T(K) Ideal gas heat capacity (J/mol×K) 580 600 620 640 660 680 700 800 900
Cp,gas	583.19	J/mol×K	658.14	Joback Calculated Property
Cp,gas	604.33	J/mol×K	699.63	Joback Calculated Property
Cp,gas	623.65	J/mol×K	741.13	Joback Calculated Property
Cp,gas	641.33	J/mol×K	782.62	Joback Calculated Property
Cp,gas	657.54	J/mol×K	824.11	Joback Calculated Property
Cp,gas	672.45	J/mol×K	865.61	Joback Calculated Property
Cp,gas	686.23	J/mol×K	907.10	Joback Calculated Property
Cp,solid	321.10	J/mol×K	298.00	NIST
η	[0.0000908; 0.0027465]	Pa×s	[350.30; 658.14]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 400 500 600
η	0.0027465	Pa×s	350.30	Joback Calculated Property
η	0.0010824	Pa×s	401.61	Joback Calculated Property
η	0.0005267	Pa×s	452.91	Joback Calculated Property
η	0.0002968	Pa×s	504.22	Joback Calculated Property
η	0.0001859	Pa×s	555.53	Joback Calculated Property
η	0.0001261	Pa×s	606.83	Joback Calculated Property
η	0.0000908	Pa×s	658.14	Joback Calculated Property
ΔfusH	[25.52; 25.52]	kJ/mol	[392.00; 392.00]
ΔfusH	25.52	kJ/mol	392.00	NIST
ΔfusH	25.52	kJ/mol	392.00	NIST
ΔsubH	96.70 ± 0.80	kJ/mol	320.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.34; 201.96]	kPa	[440.15; 653.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.32072e+01
Coefficient B			-4.33074e+03
Coefficient C			-1.04892e+02
Temperature range, min.			440.15
Temperature range, max.			653.15
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 600
Pvap	1.34	kPa	440.15	Calculated Property
Pvap	3.13	kPa	463.82	Calculated Property
Pvap	6.60	kPa	487.48	Calculated Property
Pvap	12.77	kPa	511.15	Calculated Property
Pvap	22.96	kPa	534.82	Calculated Property
Pvap	38.84	kPa	558.48	Calculated Property
Pvap	62.36	kPa	582.15	Calculated Property
Pvap	95.74	kPa	605.82	Calculated Property
Pvap	141.42	kPa	629.48	Calculated Property
Pvap	201.96	kPa	653.15	Calculated Property
Pvap	[0.16; 2001.73]	kPa	[392.15; 805.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.36853e+02
Coefficient B			-1.44359e+04
Coefficient C			-1.72116e+01
Coefficient D			5.92895e-06
Temperature range, min.			392.15
Temperature range, max.			805.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 400 600 800
Pvap	0.16	kPa	392.15	Calculated Property
Pvap	1.42	kPa	438.02	Calculated Property
Pvap	7.45	kPa	483.89	Calculated Property
Pvap	27.34	kPa	529.77	Calculated Property
Pvap	77.57	kPa	575.64	Calculated Property
Pvap	182.73	kPa	621.51	Calculated Property
Pvap	375.93	kPa	667.38	Calculated Property
Pvap	700.58	kPa	713.26	Calculated Property
Pvap	1215.09	kPa	759.13	Calculated Property
Pvap	2001.73	kPa	805.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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