Chemical Properties of 1,1'-Biphenyl, 4-(1-methylethyl)- (CAS 7116-95-2)

InChI

InChI=1S/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3

InChI Key

KWSHGRJUSUJPQD-UHFFFAOYSA-N

Formula

C15H16

SMILES

CC(C)c1ccc(-c2ccccc2)cc1

Molecular Weight¹

196.29

CAS

7116-95-2

Other Names

• 4-Isopropyl-1,1'-biphenyl
• 4-Isopropylbiphenyl
• Biphenyl, 4-isopropyl-
• p-Isopropyldiphenyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid 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_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.
• I : 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	0.4222		Relay (1.0) Calculated Property
ΔfG°	288.17	kJ/mol	Joback Calculated Property
ΔfH°gas	108.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.78	kJ/mol	Joback Calculated Property
ΔvapH°	77.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-5.70		Relay (1.0) Calculated Property
logPoct/wat	4.477		Crippen Calculated Property
McVol	174.690	ml/mol	McGowan Calculated Property
Pc	2492.52	kPa	Joback Calculated Property
Inp	[282.20; 1713.00]
Inp	1709.00		NIST
Inp	1700.00		NIST
Inp	1713.00		NIST
Inp	282.20		NIST
I	[2228.00; 2300.00]
I	2300.00		NIST
I	2255.00		NIST
I	2228.00		NIST
I	2228.00		NIST
Tboil	559.00 ± 2.00	K	NIST
Tc	787.90	K	Relay (1.0) Calculated Property
Tfus	391.00 ± 4.00	K	NIST
Vc	0.648	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.76; 513.52]	J/mol×K	[600.50; 841.46]
Cp,gas	421.76	J/mol×K	600.50	Joback Calculated Property
Cp,gas	440.19	J/mol×K	640.66	Joback Calculated Property
Cp,gas	457.26	J/mol×K	680.82	Joback Calculated Property
Cp,gas	473.06	J/mol×K	720.98	Joback Calculated Property
Cp,gas	487.65	J/mol×K	761.14	Joback Calculated Property
Cp,gas	501.11	J/mol×K	801.30	Joback Calculated Property
Cp,gas	513.52	J/mol×K	841.46	Joback Calculated Property
Cp,liquid	[338.50; 421.30]	J/mol×K	[295.00; 422.00]
Cp,liquid	343.90	J/mol×K	295.00	NIST
Cp,liquid	338.50	J/mol×K	298.00	NIST
Cp,liquid	421.30	J/mol×K	422.00	NIST
η	[0.0001511; 0.0024536]	Pa×s	[309.17; 600.50]
η	0.0024536	Pa×s	309.17	Joback Calculated Property
η	0.0011250	Pa×s	357.73	Joback Calculated Property
η	0.0006215	Pa×s	406.28	Joback Calculated Property
η	0.0003897	Pa×s	454.84	Joback Calculated Property
η	0.0002674	Pa×s	503.39	Joback Calculated Property
η	0.0001960	Pa×s	551.95	Joback Calculated Property
η	0.0001511	Pa×s	600.50	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[417.24; 594.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44149e+01
Coefficient B			-4.53024e+03
Coefficient C			-9.65660e+01
Temperature range, min.			417.24
Temperature range, max.			594.21
Pvap	1.33	kPa	417.24	Calculated Property
Pvap	3.02	kPa	436.90	Calculated Property
Pvap	6.24	kPa	456.57	Calculated Property
Pvap	11.97	kPa	476.23	Calculated Property
Pvap	21.55	kPa	495.89	Calculated Property
Pvap	36.69	kPa	515.56	Calculated Property
Pvap	59.58	kPa	535.22	Calculated Property
Pvap	92.79	kPa	554.88	Calculated Property
Pvap	139.35	kPa	574.55	Calculated Property
Pvap	202.65	kPa	594.21	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 4-(1-methylethyl)-.

Sources

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

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