Chemical Properties of Benzene, 1,3-hexadienyl- (CAS 41635-77-2)

InChI

InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h3-11H,2H2,1H3/b4-3+,9-6+

InChI Key

DHGJWSRGFMFRLS-JAFPNSLJSA-N

Formula

C12H14

SMILES

CCC=CC=Cc1ccccc1

Molecular Weight¹

158.24

CAS

41635-77-2

Other Names

• Hexa-1,3-dienylbenzene
• 1,3-hexadienylbenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[174.78; 458.73]	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			-7.02890e+01
Coefficient B			1.10492e+00
Coefficient C			-8.27800e-04
Coefficient D			2.51900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.78	J/mol×K	273.00	Calculated Property
Cp,gas	228.15	J/mol×K	353.78	Calculated Property
Cp,gas	274.21	J/mol×K	434.56	Calculated Property
Cp,gas	313.75	J/mol×K	515.33	Calculated Property
Cp,gas	347.57	J/mol×K	596.11	Calculated Property
Cp,gas	376.46	J/mol×K	676.89	Calculated Property
Cp,gas	401.23	J/mol×K	757.67	Calculated Property
Cp,gas	422.66	J/mol×K	838.44	Calculated Property
Cp,gas	441.57	J/mol×K	919.22	Calculated Property
Cp,gas	458.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033122; 0.0001473]	Pa×s	[241.26; 509.57]	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			-1.16219e+01
Coefficient B			1.42626e+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.			241.26
Temperature range, max.			509.57
η	0.0033122	Pa×s	241.26	Calculated Property
η	0.0017288	Pa×s	271.07	Calculated Property
η	0.0010264	Pa×s	300.89	Calculated Property
η	0.0006695	Pa×s	330.70	Calculated Property
η	0.0004687	Pa×s	360.51	Calculated Property
η	0.0003464	Pa×s	390.32	Calculated Property
η	0.0002673	Pa×s	420.14	Calculated Property
η	0.0002135	Pa×s	449.95	Calculated Property
η	0.0001753	Pa×s	479.76	Calculated Property
η	0.0001473	Pa×s	509.57	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-hexadienyl-.

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

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