Chemical Properties of Benzene, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis-, (R*,S*)- (CAS 4613-11-0)

InChI

InChI=1S/C16H18/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3/t13-,14+

InChI Key

NGCFVIRRWORSML-OKILXGFUSA-N

Formula

C16H18

SMILES

CC(c1ccccc1)C(C)c1ccccc1

Molecular Weight¹

210.31

CAS

4613-11-0

Other Names

• Benzene, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis-, [r-(R*,S*)]-
• Bibenzyl, «alpha»,«alpha»'-dimethyl-, erythro-
• Bibenzyl, «alpha»,«alpha»'-dimethyl-, erythro-
• erythro-2,3-Diphenylbutane
• meso-2,3-Diphenylbutane

• 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).
• 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	-8912.00	kJ/mol	NIST
ΔfG°	303.78	kJ/mol	Joback Calculated Property
ΔfH°gas	88.93	kJ/mol	Joback Calculated Property
ΔfusH°	18.23	kJ/mol	Joback Calculated Property
ΔvapH°	54.99	kJ/mol	Joback Calculated Property
log10WS	-4.65		Crippen Calculated Property
logPoct/wat	4.594		Crippen Calculated Property
McVol	188.780	ml/mol	McGowan Calculated Property
Pc	2320.31	kPa	Joback Calculated Property
Tboil	617.96	K	Joback Calculated Property
Tc	858.10	K	Joback Calculated Property
Tfus	[395.00; 399.90]	K
Tfus	399.90 ± 1.00	K	NIST
Tfus	395.00 ± 5.00	K	NIST
Vc	0.704	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.14; 570.27]	J/mol×K	[617.96; 858.10]
Cp,gas	473.14	J/mol×K	617.96	Joback Calculated Property
Cp,gas	492.74	J/mol×K	657.98	Joback Calculated Property
Cp,gas	510.86	J/mol×K	698.01	Joback Calculated Property
Cp,gas	527.59	J/mol×K	738.03	Joback Calculated Property
Cp,gas	543.01	J/mol×K	778.05	Joback Calculated Property
Cp,gas	557.20	J/mol×K	818.08	Joback Calculated Property
Cp,gas	570.27	J/mol×K	858.10	Joback Calculated Property
η	[0.0001307; 0.0044099]	Pa×s	[292.92; 617.96]
η	0.0044099	Pa×s	292.92	Joback Calculated Property
η	0.0015524	Pa×s	347.09	Joback Calculated Property
η	0.0007244	Pa×s	401.27	Joback Calculated Property
η	0.0004053	Pa×s	455.44	Joback Calculated Property
η	0.0002565	Pa×s	509.61	Joback Calculated Property
η	0.0001773	Pa×s	563.79	Joback Calculated Property
η	0.0001307	Pa×s	617.96	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[425.20; 616.86]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38440e+01
Coefficient B			-4.41285e+03
Coefficient C			-9.96780e+01
Temperature range, min.			425.20
Temperature range, max.			616.86
Pvap	1.33	kPa	425.20	Calculated Property
Pvap	3.07	kPa	446.50	Calculated Property
Pvap	6.40	kPa	467.79	Calculated Property
Pvap	12.33	kPa	489.09	Calculated Property
Pvap	22.18	kPa	510.38	Calculated Property
Pvap	37.68	kPa	531.68	Calculated Property
Pvap	60.88	kPa	552.97	Calculated Property
Pvap	94.23	kPa	574.27	Calculated Property
Pvap	140.48	kPa	595.56	Calculated Property
Pvap	202.65	kPa	616.86	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,1'-(1,2-dimethyl-1,2-ethanediyl)bis-, (R*,S*)-.

Sources

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

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