Chemical Properties of (E)-3-(4-Acetoxyphenyl)allyl acetate (CAS 113944-48-2)

InChI

InChI=1S/C13H14O4/c1-10(14)16-9-3-4-12-5-7-13(8-6-12)17-11(2)15/h3-8H,9H2,1-2H3/b4-3+

InChI Key

JAFORXKRQBIDEE-ONEGZZNKSA-N

Formula

C13H14O4

SMILES

CC(=O)OCC=Cc1ccc(OC(C)=O)cc1

Molecular Weight¹

234.25

CAS

113944-48-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-226.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-458.97	kJ/mol	Joback Calculated Property
ΔfusH°	28.85	kJ/mol	Joback Calculated Property
ΔvapH°	65.74	kJ/mol	Joback Calculated Property
log10WS	-2.73		Crippen Calculated Property
logPoct/wat	2.188		Crippen Calculated Property
McVol	180.850	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	[1847.20; 1847.20]
Inp	1847.20		NIST
Inp	1847.20		NIST
Tboil	685.24	K	Joback Calculated Property
Tc	901.78	K	Joback Calculated Property
Tfus	414.45	K	Joback Calculated Property
Vc	0.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.71; 531.91]	J/mol×K	[685.24; 901.78]
Cp,gas	464.71	J/mol×K	685.24	Joback Calculated Property
Cp,gas	478.02	J/mol×K	721.33	Joback Calculated Property
Cp,gas	490.47	J/mol×K	757.42	Joback Calculated Property
Cp,gas	502.06	J/mol×K	793.51	Joback Calculated Property
Cp,gas	512.82	J/mol×K	829.60	Joback Calculated Property
Cp,gas	522.76	J/mol×K	865.69	Joback Calculated Property
Cp,gas	531.91	J/mol×K	901.78	Joback Calculated Property
η	[0.0001152; 0.0009651]	Pa×s	[414.45; 685.24]
η	0.0009651	Pa×s	414.45	Joback Calculated Property
η	0.0005691	Pa×s	459.58	Joback Calculated Property
η	0.0003688	Pa×s	504.71	Joback Calculated Property
η	0.0002566	Pa×s	549.85	Joback Calculated Property
η	0.0001887	Pa×s	594.98	Joback Calculated Property
η	0.0001449	Pa×s	640.11	Joback Calculated Property
η	0.0001152	Pa×s	685.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-3-(4-Acetoxyphenyl)allyl acetate.

Sources

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

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