Chemical Properties of 1,1-Diphenylbutane (CAS 719-79-9)

InChI

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

InChI Key

SZFDQMKAGLCYPA-UHFFFAOYSA-N

Formula

C16H18

SMILES

CCCC(c1ccccc1)c1ccccc1

Molecular Weight¹

210.32

CAS

719-79-9

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.4567		Relay (1.0) Calculated Property
ΔcH°liquid	[-8912.00; -8901.50]	kJ/mol
ΔcH°liquid	-8912.00	kJ/mol	NIST
ΔcH°liquid	-8901.50	kJ/mol	NIST
ΔfG°	306.22	kJ/mol	Joback Calculated Property
ΔfH°gas	120.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.76	kJ/mol	Joback Calculated Property
ΔvapH°	77.20 ± 0.60	kJ/mol	NIST
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	4.619		Crippen Calculated Property
McVol	188.780	ml/mol	McGowan Calculated Property
Pc	2302.53	kPa	Joback Calculated Property
Tboil	[560.00; 568.44]	K
Tboil	560.20	K	NIST
Tboil	568.44 ± 0.20	K	NIST
Tboil	567.44 ± 0.50	K	NIST
Tboil	560.00 ± 4.00	K	NIST
Tboil	560.00 ± 4.00	K	NIST
Tboil	568.44 ± 0.20	K	NIST
Tc	797.14	K	Relay (1.0) Calculated Property
Tfus	[248.00; 274.15]	K
Tfus	274.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	248.00 ± 0.30	K	NIST
Tfus	248.00 ± 0.30	K	NIST
Vc	0.686	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.07; 608.27]	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			-8.11480e+01
Coefficient B			1.37192e+00
Coefficient C			-9.12200e-04
Coefficient D			2.29700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.07	J/mol×K	273.00	Calculated Property
Cp,gas	300.21	J/mol×K	353.78	Calculated Property
Cp,gas	361.62	J/mol×K	434.56	Calculated Property
Cp,gas	415.03	J/mol×K	515.33	Calculated Property
Cp,gas	461.18	J/mol×K	596.11	Calculated Property
Cp,gas	500.78	J/mol×K	676.89	Calculated Property
Cp,gas	534.56	J/mol×K	757.67	Calculated Property
Cp,gas	563.25	J/mol×K	838.44	Calculated Property
Cp,gas	587.58	J/mol×K	919.22	Calculated Property
Cp,gas	608.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0111776; 0.0001563]	Pa×s	[256.72; 597.57]	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			-1.19794e+01
Coefficient B			1.92166e+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.			256.72
Temperature range, max.			597.57
η	0.0111776	Pa×s	256.72	Calculated Property
η	0.0042698	Pa×s	294.59	Calculated Property
η	0.0020309	Pa×s	332.46	Calculated Property
η	0.0011245	Pa×s	370.33	Calculated Property
η	0.0006949	Pa×s	408.21	Calculated Property
η	0.0004659	Pa×s	446.08	Calculated Property
η	0.0003326	Pa×s	483.95	Calculated Property
η	0.0002493	Pa×s	521.83	Calculated Property
η	0.0001943	Pa×s	559.70	Calculated Property
η	0.0001563	Pa×s	597.57	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[414.85; 596.74]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41152e+01
Coefficient B			-4.40732e+03
Coefficient C			-9.61180e+01
Temperature range, min.			414.85
Temperature range, max.			596.74
Pvap	1.33	kPa	414.85	Calculated Property
Pvap	3.04	kPa	435.06	Calculated Property
Pvap	6.32	kPa	455.27	Calculated Property
Pvap	12.15	kPa	475.48	Calculated Property
Pvap	21.87	kPa	495.69	Calculated Property
Pvap	37.19	kPa	515.90	Calculated Property
Pvap	60.24	kPa	536.11	Calculated Property
Pvap	93.53	kPa	556.32	Calculated Property
Pvap	139.93	kPa	576.53	Calculated Property
Pvap	202.66	kPa	596.74	Calculated Property

Similar Compounds

Find more compounds similar to 1,1-Diphenylbutane.

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

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