Chemical Properties of Ethyl homovanillate (CAS 60563-13-5)

InChI

InChI=1S/C11H14O4/c1-3-15-11(13)7-8-4-5-9(12)10(6-8)14-2/h4-6,12H,3,7H2,1-2H3

InChI Key

AWPMWZHWVKXADV-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

CCOC(=O)Cc1ccc(O)c(OC)c1

Molecular Weight¹

210.23

CAS

60563-13-5

Other Names

• Ethyl 4-hydroxy-3-methoxyphenyl acetate
• Benzeneacetic acid, 4-hydroxy-3-methoxy-, ethyl ester

• ω : Acentric Factor.
• 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).
• 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 : 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	0.7359		Relay (1.0) Calculated Property
ΔfG°	-349.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-663.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.66	kJ/mol	Joback Calculated Property
ΔvapH°	85.85	kJ/mol	Relay (1.0) Calculated Property
IE	7.79	eV	Relay (1.0) Calculated Property
log10WS	-1.92		Relay (1.0) Calculated Property
logPoct/wat	1.506		Crippen Calculated Property
McVol	161.270	ml/mol	McGowan Calculated Property
Pc	3156.17	kPa	Joback Calculated Property
I	[2759.00; 2759.00]
I	2759.00		NIST
I	2759.00		NIST
I	2759.00		NIST
Tboil	569.33	K	Relay (1.0) Calculated Property
Tc	786.63	K	Relay (1.0) Calculated Property
Tfus	333.86	K	Relay (1.0) Calculated Property
Vc	0.584	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.72; 486.51]	J/mol×K	[662.07; 879.72]
Cp,gas	421.72	J/mol×K	662.07	Joback Calculated Property
Cp,gas	434.18	J/mol×K	698.34	Joback Calculated Property
Cp,gas	445.92	J/mol×K	734.62	Joback Calculated Property
Cp,gas	456.99	J/mol×K	770.89	Joback Calculated Property
Cp,gas	467.41	J/mol×K	807.17	Joback Calculated Property
Cp,gas	477.24	J/mol×K	843.44	Joback Calculated Property
Cp,gas	486.51	J/mol×K	879.72	Joback Calculated Property
η	[0.0000175; 0.0003177]	Pa×s	[458.78; 662.07]
η	0.0003177	Pa×s	458.78	Joback Calculated Property
η	0.0001660	Pa×s	492.66	Joback Calculated Property
η	0.0000943	Pa×s	526.54	Joback Calculated Property
η	0.0000573	Pa×s	560.42	Joback Calculated Property
η	0.0000369	Pa×s	594.31	Joback Calculated Property
η	0.0000249	Pa×s	628.19	Joback Calculated Property
η	0.0000175	Pa×s	662.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl homovanillate.

Sources

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

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