Chemical Properties of 4,5-diphenyl-1,3-hexadiene

InChI

InChI=1S/C18H18/c1-3-10-18(17-13-8-5-9-14-17)15(2)16-11-6-4-7-12-16/h3-15H,1H2,2H3/b18-10-

InChI Key

CCPVGOJXSGZKOT-ZDLGFXPLSA-N

Formula

C18H18

SMILES

C=CC=C(c1ccccc1)C(C)c1ccccc1

Molecular Weight¹

234.34

• 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).
• I_np : Non-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	0.4119		Relay (1.0) Calculated Property
ΔfG°	482.57	kJ/mol	Joback Calculated Property
ΔfH°gas	262.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.55	kJ/mol	Joback Calculated Property
ΔvapH°	81.24	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-5.08		Relay (1.0) Calculated Property
logPoct/wat	5.060		Crippen Calculated Property
McVol	208.360	ml/mol	McGowan Calculated Property
Pc	2110.00	kPa	Joback Calculated Property
Inp	[1874.40; 1874.40]
Inp	1874.40		NIST
Inp	1874.40		NIST
Tboil	586.82	K	Relay (1.0) Calculated Property
Tc	825.27	K	Relay (1.0) Calculated Property
Tfus	327.13	K	Relay (1.0) Calculated Property
Vc	0.725	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.14; 626.68]	J/mol×K	[664.88; 909.31]
Cp,gas	533.14	J/mol×K	664.88	Joback Calculated Property
Cp,gas	552.05	J/mol×K	705.62	Joback Calculated Property
Cp,gas	569.46	J/mol×K	746.36	Joback Calculated Property
Cp,gas	585.50	J/mol×K	787.10	Joback Calculated Property
Cp,gas	600.30	J/mol×K	827.83	Joback Calculated Property
Cp,gas	613.98	J/mol×K	868.57	Joback Calculated Property
Cp,gas	626.68	J/mol×K	909.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,5-diphenyl-1,3-hexadiene.

Sources

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

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