Chemical Properties of 1,1-Diphenylpentane (CAS 1726-12-1)

InChI

InChI=1S/C17H20/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

InChI Key

GSGNVNZDHCKRGI-UHFFFAOYSA-N

Formula

C17H20

SMILES

CCCCC(c1ccccc1)c1ccccc1

Molecular Weight¹

224.35

CAS

1726-12-1

• 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	0.5013		Relay (1.0) Calculated Property
ΔcH°liquid	-9602.00	kJ/mol	NIST
ΔfG°	314.64	kJ/mol	Joback Calculated Property
ΔfH°gas	99.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.34	kJ/mol	Joback Calculated Property
ΔvapH°	74.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-5.73		Relay (1.0) Calculated Property
logPoct/wat	5.009		Crippen Calculated Property
McVol	202.870	ml/mol	McGowan Calculated Property
Pc	2104.20	kPa	Joback Calculated Property
Tboil	[581.04; 581.04]	K
Tboil	581.04 ± 0.30	K	NIST
Tboil	581.04 ± 0.30	K	NIST
Tc	809.24	K	Relay (1.0) Calculated Property
Tfus	[261.09; 261.15]	K
Tfus	261.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	261.09 ± 0.05	K	NIST
Tfus	261.09 ± 0.05	K	NIST
Vc	0.739	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.29; 659.86]	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			-8.20570e+01
Coefficient B			1.46692e+00
Coefficient C			-9.66600e-04
Coefficient D			2.41600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.29	J/mol×K	273.00	Calculated Property
Cp,gas	326.63	J/mol×K	353.78	Calculated Property
Cp,gas	392.70	J/mol×K	434.56	Calculated Property
Cp,gas	450.26	J/mol×K	515.33	Calculated Property
Cp,gas	500.09	J/mol×K	596.11	Calculated Property
Cp,gas	542.94	J/mol×K	676.89	Calculated Property
Cp,gas	579.58	J/mol×K	757.67	Calculated Property
Cp,gas	610.77	J/mol×K	838.44	Calculated Property
Cp,gas	637.28	J/mol×K	919.22	Calculated Property
Cp,gas	659.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0123560; 0.0001491]	Pa×s	[261.11; 610.31]	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			-1.21138e+01
Coefficient B			2.01582e+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.			261.11
Temperature range, max.			610.31
η	0.0123560	Pa×s	261.11	Calculated Property
η	0.0045511	Pa×s	299.91	Calculated Property
η	0.0021073	Pa×s	338.71	Calculated Property
η	0.0011431	Pa×s	377.51	Calculated Property
η	0.0006949	Pa×s	416.31	Calculated Property
η	0.0004599	Pa×s	455.11	Calculated Property
η	0.0003248	Pa×s	493.91	Calculated Property
η	0.0002412	Pa×s	532.71	Calculated Property
η	0.0001866	Pa×s	571.51	Calculated Property
η	0.0001491	Pa×s	610.31	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[433.73; 635.13]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.35694e+01
Coefficient B			-4.39699e+03
Coefficient C			-1.02679e+02
Temperature range, min.			433.73
Temperature range, max.			635.13
Pvap	1.33	kPa	433.73	Calculated Property
Pvap	3.09	kPa	456.11	Calculated Property
Pvap	6.48	kPa	478.49	Calculated Property
Pvap	12.51	kPa	500.86	Calculated Property
Pvap	22.52	kPa	523.24	Calculated Property
Pvap	38.19	kPa	545.62	Calculated Property
Pvap	61.56	kPa	568.00	Calculated Property
Pvap	94.97	kPa	590.37	Calculated Property
Pvap	141.05	kPa	612.75	Calculated Property
Pvap	202.63	kPa	635.13	Calculated Property

Similar Compounds

Find more compounds similar to 1,1-Diphenylpentane.

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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