Chemical Properties of 1,2-diphenylbutane (CAS 5223-59-6)

InChI

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

InChI Key

XJGHNXQUBBXYCH-UHFFFAOYSA-N

Formula

C16H18

SMILES

CCC(Cc1ccccc1)c1ccccc1

Molecular Weight¹

210.31

CAS

5223-59-6

• ω : Acentric Factor.
• 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).
• I_np : Non-polar retention indices.
• 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	0.4525		Relay (1.0) Calculated Property
ΔfG°	306.22	kJ/mol	Joback Calculated Property
ΔfH°gas	107.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.76	kJ/mol	Joback Calculated Property
ΔvapH°	77.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	4.423		Crippen Calculated Property
McVol	188.780	ml/mol	McGowan Calculated Property
Pc	2302.53	kPa	Joback Calculated Property
Inp	[1736.10; 1757.90]
Inp	1736.10		NIST
Inp	1757.90		NIST
Tboil	568.02	K	Relay (1.0) Calculated Property
Tc	798.22	K	Relay (1.0) Calculated Property
Tfus	294.25	K	Relay (1.0) Calculated Property
Vc	0.688	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[472.73; 568.06]	J/mol×K	[618.40; 853.40]
Cp,gas	472.73	J/mol×K	618.40	Joback Calculated Property
Cp,gas	491.86	J/mol×K	657.57	Joback Calculated Property
Cp,gas	509.59	J/mol×K	696.73	Joback Calculated Property
Cp,gas	525.99	J/mol×K	735.90	Joback Calculated Property
Cp,gas	541.15	J/mol×K	775.06	Joback Calculated Property
Cp,gas	555.14	J/mol×K	814.23	Joback Calculated Property
Cp,gas	568.06	J/mol×K	853.40	Joback Calculated Property
η	[0.0001403; 0.0032193]	Pa×s	[307.92; 618.40]
η	0.0032193	Pa×s	307.92	Joback Calculated Property
η	0.0013116	Pa×s	359.67	Joback Calculated Property
η	0.0006698	Pa×s	411.41	Joback Calculated Property
η	0.0003975	Pa×s	463.16	Joback Calculated Property
η	0.0002620	Pa×s	514.91	Joback Calculated Property
η	0.0001863	Pa×s	566.65	Joback Calculated Property
η	0.0001403	Pa×s	618.40	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[420.22; 618.82]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.34629e+01
Coefficient B			-4.24557e+03
Coefficient C			-9.79840e+01
Temperature range, min.			420.22
Temperature range, max.			618.82
Pvap	1.33	kPa	420.22	Calculated Property
Pvap	3.10	kPa	442.29	Calculated Property
Pvap	6.52	kPa	464.35	Calculated Property
Pvap	12.59	kPa	486.42	Calculated Property
Pvap	22.66	kPa	508.49	Calculated Property
Pvap	38.40	kPa	530.55	Calculated Property
Pvap	61.84	kPa	552.62	Calculated Property
Pvap	95.28	kPa	574.69	Calculated Property
Pvap	141.30	kPa	596.75	Calculated Property
Pvap	202.65	kPa	618.82	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-diphenylbutane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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