Chemical Properties of 2,5-Dimethyldiphenylmethane (CAS 13540-50-6)

InChI

InChI=1S/C15H16/c1-12-8-9-13(2)15(10-12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3

InChI Key

LJBGURBFHJJQQU-UHFFFAOYSA-N

Formula

C15H16

SMILES

Cc1ccc(C)c(Cc2ccccc2)c1

Molecular Weight¹

196.29

CAS

13540-50-6

• 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_fH°_liquid : Liquid phase 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).
• 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	0.4769		Relay (1.0) Calculated Property
ΔcH°liquid	-8213.90 ± 1.20	kJ/mol	NIST
ΔfG°	280.98	kJ/mol	Joback Calculated Property
ΔfH°gas	128.81	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	24.60 ± 1.40	kJ/mol	NIST
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔvapH°	76.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-5.01		Relay (1.0) Calculated Property
logPoct/wat	3.894		Crippen Calculated Property
McVol	174.690	ml/mol	McGowan Calculated Property
Pc	2436.25	kPa	Joback Calculated Property
Tboil	[567.20; 568.00]	K
Tboil	568.00 ± 4.00	K	NIST
Tboil	567.20 ± 4.00	K	NIST
Tc	792.83	K	Relay (1.0) Calculated Property
Tfus	292.15	K	Relay (1.0) Calculated Property
Vc	0.656	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.28; 550.06]	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			-4.99590e+01
Coefficient B			1.15204e+00
Coefficient C			-7.20520e-04
Coefficient D			1.68500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.28	J/mol×K	273.00	Calculated Property
Cp,gas	274.89	J/mol×K	353.78	Calculated Property
Cp,gas	328.43	J/mol×K	434.56	Calculated Property
Cp,gas	375.44	J/mol×K	515.33	Calculated Property
Cp,gas	416.44	J/mol×K	596.11	Calculated Property
Cp,gas	451.98	J/mol×K	676.89	Calculated Property
Cp,gas	482.57	J/mol×K	757.67	Calculated Property
Cp,gas	508.76	J/mol×K	838.44	Calculated Property
Cp,gas	531.08	J/mol×K	919.22	Calculated Property
Cp,gas	550.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014790; 0.0001720]	Pa×s	[336.69; 590.03]	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			-1.15274e+01
Coefficient B			1.68716e+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.			336.69
Temperature range, max.			590.03
η	0.0014790	Pa×s	336.69	Calculated Property
η	0.0010048	Pa×s	364.84	Calculated Property
η	0.0007215	Pa×s	392.99	Calculated Property
η	0.0005415	Pa×s	421.14	Calculated Property
η	0.0004213	Pa×s	449.29	Calculated Property
η	0.0003376	Pa×s	477.44	Calculated Property
η	0.0002773	Pa×s	505.58	Calculated Property
η	0.0002326	Pa×s	533.73	Calculated Property
η	0.0001985	Pa×s	561.88	Calculated Property
η	0.0001720	Pa×s	590.03	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethyldiphenylmethane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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