Chemical Properties of Benzene, 1,1'-(1-methyl-1,2-ethanediyl)bis- (CAS 5814-85-7)

InChI

InChI=1S/C15H16/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3

InChI Key

XLWCIHPMASUXPI-UHFFFAOYSA-N

Formula

C15H16

SMILES

CC(Cc1ccccc1)c1ccccc1

Molecular Weight¹

196.29

CAS

5814-85-7

Other Names

• 1,2-Diphenylpropane
• 2-Phenylpropylbenzene
• Bibenzyl, «alpha»-methyl-
• Propane, 1,2-diphenyl-
• «alpha»,«beta»-Diphenylpropane
• «alpha»-Methylbibenzyl

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid 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).
• 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
ω	0.4249		Relay (1.0) Calculated Property
ΔcH°liquid	-7866.00	kJ/mol	NIST
ΔfG°	297.80	kJ/mol	Joback Calculated Property
ΔfH°gas	125.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.17	kJ/mol	Joback Calculated Property
ΔvapH°	76.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	4.033		Crippen Calculated Property
McVol	174.690	ml/mol	McGowan Calculated Property
Pc	2530.27	kPa	Joback Calculated Property
Tboil	[552.00; 556.81]	K
Tboil	554.00 ± 3.00	K	NIST
Tboil	556.81 ± 0.20	K	NIST
Tboil	554.00 ± 4.00	K	NIST
Tboil	554.00 ± 4.00	K	NIST
Tboil	552.00 ± 5.00	K	NIST
Tboil	552.00 ± 5.00	K	NIST
Tc	789.45	K	Relay (1.0) Calculated Property
Tfus	[273.29; 325.00]	K
Tfus	299.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	273.29 ± 0.20	K	NIST
Tfus	273.30 ± 2.00	K	NIST
Tfus	325.00 ± 5.00	K	NIST
Tfus	325.00 ± 4.00	K	NIST
Tfus	273.29 ± 0.20	K	NIST
Vc	0.645	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.86; 556.68]	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			-8.02390e+01
Coefficient B			1.27692e+00
Coefficient C			-8.57800e-04
Coefficient D			2.17800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.86	J/mol×K	273.00	Calculated Property
Cp,gas	273.79	J/mol×K	353.78	Calculated Property
Cp,gas	330.54	J/mol×K	434.56	Calculated Property
Cp,gas	379.80	J/mol×K	515.33	Calculated Property
Cp,gas	422.27	J/mol×K	596.11	Calculated Property
Cp,gas	458.62	J/mol×K	676.89	Calculated Property
Cp,gas	489.54	J/mol×K	757.67	Calculated Property
Cp,gas	515.74	J/mol×K	838.44	Calculated Property
Cp,gas	537.89	J/mol×K	919.22	Calculated Property
Cp,gas	556.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035137; 0.0001624]	Pa×s	[294.84; 585.02]	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			-1.18494e+01
Coefficient B			1.82750e+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.			294.84
Temperature range, max.			585.02
η	0.0035137	Pa×s	294.84	Calculated Property
η	0.0019073	Pa×s	327.08	Calculated Property
η	0.0011552	Pa×s	359.32	Calculated Property
η	0.0007600	Pa×s	391.57	Calculated Property
η	0.0005328	Pa×s	423.81	Calculated Property
η	0.0003928	Pa×s	456.05	Calculated Property
η	0.0003015	Pa×s	488.29	Calculated Property
η	0.0002391	Pa×s	520.54	Calculated Property
η	0.0001948	Pa×s	552.78	Calculated Property
η	0.0001624	Pa×s	585.02	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[414.56; 588.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47597e+01
Coefficient B			-4.72544e+03
Coefficient C			-8.80450e+01
Temperature range, min.			414.56
Temperature range, max.			588.18
Pvap	1.33	kPa	414.56	Calculated Property
Pvap	2.99	kPa	433.85	Calculated Property
Pvap	6.15	kPa	453.14	Calculated Property
Pvap	11.78	kPa	472.43	Calculated Property
Pvap	21.20	kPa	491.72	Calculated Property
Pvap	36.15	kPa	511.02	Calculated Property
Pvap	58.85	kPa	530.31	Calculated Property
Pvap	91.98	kPa	549.60	Calculated Property
Pvap	138.71	kPa	568.89	Calculated Property
Pvap	202.64	kPa	588.18	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.