Chemical Properties of 5-methoxyhexa-1,3,5-trien-1-yl)benzene (CAS 104055-92-7)

InChI

InChI=1S/C13H14O/c1-12(14-2)8-6-7-11-13-9-4-3-5-10-13/h3-11H,1H2,2H3/b8-6+,11-7+

InChI Key

ATOJVVOASPCZPV-JMFBPXTISA-N

Formula

C13H14O

SMILES

C=C(C=CC=Cc1ccccc1)OC

Molecular Weight¹

186.25

CAS

104055-92-7

• 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).
• 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
ΔfG°	305.72	kJ/mol	Joback Calculated Property
ΔfH°gas	142.74	kJ/mol	Joback Calculated Property
ΔfusH°	22.47	kJ/mol	Joback Calculated Property
ΔvapH°	48.54	kJ/mol	Joback Calculated Property
log10WS	-3.68		Crippen Calculated Property
logPoct/wat	3.416		Crippen Calculated Property
McVol	163.240	ml/mol	McGowan Calculated Property
Pc	2497.50	kPa	Joback Calculated Property
Inp	[1692.30; 1692.30]
Inp	1692.30		NIST
Inp	1692.30		NIST
Tboil	550.82	K	Joback Calculated Property
Tc	772.20	K	Joback Calculated Property
Tfus	259.04	K	Joback Calculated Property
Vc	0.616	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.18; 444.06]	J/mol×K	[550.82; 772.20]
Cp,gas	363.18	J/mol×K	550.82	Joback Calculated Property
Cp,gas	379.12	J/mol×K	587.72	Joback Calculated Property
Cp,gas	393.98	J/mol×K	624.61	Joback Calculated Property
Cp,gas	407.83	J/mol×K	661.51	Joback Calculated Property
Cp,gas	420.75	J/mol×K	698.40	Joback Calculated Property
Cp,gas	432.81	J/mol×K	735.30	Joback Calculated Property
Cp,gas	444.06	J/mol×K	772.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-methoxyhexa-1,3,5-trien-1-yl)benzene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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