Chemical Properties of 1,2-DI(P-TOLYL)ACETYLENE

InChI

InChI=1S/C16H14/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16/h3-10H,1-2H3

InChI Key

OFDOCXDLDQXWIX-UHFFFAOYSA-N

Formula

C16H14

SMILES

Cc1ccc(C#Cc2ccc(C)cc2)cc1

Molecular Weight¹

206.29

Other Names

• 1-Methyl-4-[2-(4-methylphenyl)ethynyl]benzene
• di-p-Tolylacetylene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	0.4593		Relay (1.0) Calculated Property
ΔfG°	492.20	kJ/mol	Joback Calculated Property
ΔfH°gas	332.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.62	kJ/mol	Joback Calculated Property
ΔvapH°	77.31	kJ/mol	Relay (1.0) Calculated Property
IE	7.68	eV	Relay (1.0) Calculated Property
log10WS	-6.00		Relay (1.0) Calculated Property
logPoct/wat	3.703		Crippen Calculated Property
McVol	180.180	ml/mol	McGowan Calculated Property
Pc	2597.78	kPa	Joback Calculated Property
Tboil	577.10	K	Relay (1.0) Calculated Property
Tc	815.23	K	Relay (1.0) Calculated Property
Tfus	[408.00; 410.40]	K
Tfus	408.00 ± 4.00	K	NIST
Tfus	408.00 ± 4.00	K	NIST
Tfus	410.40 ± 1.00	K	NIST
Vc	0.661	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.59; 540.53]	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			-3.33100e+01
Coefficient B			1.09724e+00
Coefficient C			-6.82780e-04
Coefficient D			1.59380e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.59	J/mol×K	273.00	Calculated Property
Cp,gas	276.47	J/mol×K	353.78	Calculated Property
Cp,gas	327.65	J/mol×K	434.56	Calculated Property
Cp,gas	372.62	J/mol×K	515.33	Calculated Property
Cp,gas	411.90	J/mol×K	596.11	Calculated Property
Cp,gas	445.99	J/mol×K	676.89	Calculated Property
Cp,gas	475.40	J/mol×K	757.67	Calculated Property
Cp,gas	500.62	J/mol×K	838.44	Calculated Property
Cp,gas	522.16	J/mol×K	919.22	Calculated Property
Cp,gas	540.53	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-DI(P-TOLYL)ACETYLENE.

Sources

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

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