Chemical Properties of 1-(4-Acetoxy-3-methoxyphenyl)allyl acetate (CAS 53890-24-7)

InChI

InChI=1S/C14H16O5/c1-5-12(18-9(2)15)11-6-7-13(19-10(3)16)14(8-11)17-4/h5-8,12H,1H2,2-4H3

InChI Key

NKRBAUXTIWONOV-UHFFFAOYSA-N

Formula

C14H16O5

SMILES

C=CC(OC(C)=O)c1ccc(OC(C)=O)c(OC)c1

Molecular Weight¹

264.27

CAS

53890-24-7

• 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°	-327.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-620.37	kJ/mol	Joback Calculated Property
ΔfusH°	27.24	kJ/mol	Joback Calculated Property
ΔvapH°	70.02	kJ/mol	Joback Calculated Property
log10WS	-3.14		Crippen Calculated Property
logPoct/wat	2.411		Crippen Calculated Property
McVol	200.810	ml/mol	McGowan Calculated Property
Pc	2191.78	kPa	Joback Calculated Property
Inp	[1799.90; 1799.90]
Inp	1799.90		NIST
Inp	1799.90		NIST
Tboil	727.60	K	Joback Calculated Property
Tc	939.45	K	Joback Calculated Property
Tfus	448.79	K	Joback Calculated Property
Vc	0.752	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.83; 609.52]	J/mol×K	[727.60; 939.45]
Cp,gas	541.83	J/mol×K	727.60	Joback Calculated Property
Cp,gas	555.45	J/mol×K	762.91	Joback Calculated Property
Cp,gas	568.14	J/mol×K	798.22	Joback Calculated Property
Cp,gas	579.91	J/mol×K	833.53	Joback Calculated Property
Cp,gas	590.73	J/mol×K	868.83	Joback Calculated Property
Cp,gas	600.61	J/mol×K	904.14	Joback Calculated Property
Cp,gas	609.52	J/mol×K	939.45	Joback Calculated Property
η	[0.0000898; 0.0006915]	Pa×s	[448.79; 727.60]
η	0.0006915	Pa×s	448.79	Joback Calculated Property
η	0.0004195	Pa×s	495.26	Joback Calculated Property
η	0.0002773	Pa×s	541.73	Joback Calculated Property
η	0.0001956	Pa×s	588.20	Joback Calculated Property
η	0.0001453	Pa×s	634.66	Joback Calculated Property
η	0.0001124	Pa×s	681.13	Joback Calculated Property
η	0.0000898	Pa×s	727.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Acetoxy-3-methoxyphenyl)allyl acetate.

Sources

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

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