Chemical Properties of 1,2-diphenyl-1-butene

InChI

InChI=1S/C16H16/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14/h3-13H,2H2,1H3/b15-13+

InChI Key

BBHBYGXZJZWYMF-SQFISAMPSA-N

Formula

C16H16

SMILES

CC/C(=C/c1ccccc1)c1ccccc1

Molecular Weight¹

208.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.17	kJ/mol	Joback Calculated Property
ΔvapH°	75.06	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-5.36		Relay (1.0) Calculated Property
logPoct/wat	4.637		Crippen Calculated Property
McVol	184.480	ml/mol	McGowan Calculated Property
Inp	[1686.70; 1747.40]
Inp	1686.70		NIST
Inp	1747.40		NIST
Inp	1686.70		NIST
Tboil	587.06	K	Relay (1.0) Calculated Property
Tfus	306.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.54; 576.88]	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			-9.33390e+01
Coefficient B			1.38592e+00
Coefficient C			-9.95100e-04
Coefficient D			2.79400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.54	J/mol×K	273.00	Calculated Property
Cp,gas	284.79	J/mol×K	353.78	Calculated Property
Cp,gas	343.93	J/mol×K	434.56	Calculated Property
Cp,gas	394.84	J/mol×K	515.33	Calculated Property
Cp,gas	438.40	J/mol×K	596.11	Calculated Property
Cp,gas	475.49	J/mol×K	676.89	Calculated Property
Cp,gas	507.00	J/mol×K	757.67	Calculated Property
Cp,gas	533.82	J/mol×K	838.44	Calculated Property
Cp,gas	556.81	J/mol×K	919.22	Calculated Property
Cp,gas	576.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-diphenyl-1-butene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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