Chemical Properties of 3-(3-methoxy-4-hexyloxy-phenyl)-2-methyl-propionic acid, methyl ester

InChI

InChI=1S/C18H28O4/c1-5-6-7-8-11-22-16-10-9-15(13-17(16)20-3)12-14(2)18(19)21-4/h9-10,13-14H,5-8,11-12H2,1-4H3

InChI Key

BQEKLEUILOHYIH-UHFFFAOYSA-N

Formula

C18H28O4

SMILES

CCCCCCOc1ccc(CC(C)C(=O)OC)cc1OC

Molecular Weight¹

308.41

• 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_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
ω	0.8684		Relay (... Calculated Property
ΔfG°	-252.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-756.93	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.28	kJ/mol	Joback Calculated Property
ΔvapH°	95.77	kJ/mol	Relay (... Calculated Property
IE	7.99	eV	Relay (... Calculated Property
log10WS	-4.11		Relay (... Calculated Property
logPoct/wat	4.006		Crippen Calculated Property
McVol	259.900	ml/mol	McGowan Calculated Property
Pc	1451.25	kPa	Joback Calculated Property
Inp	[2090.20; 2090.20]
Inp	2090.20		NIST
Inp	2090.20		NIST
Tboil	608.16	K	Relay (... Calculated Property
Tc	808.37	K	Relay (... Calculated Property
Tfus	315.71	K	Relay (... Calculated Property
Vc	0.962	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[770.26; 856.68]	J/mol×K	[768.57; 964.21]
Cp,gas	770.26	J/mol×K	768.57	Joback Calculated Property
Cp,gas	787.28	J/mol×K	801.18	Joback Calculated Property
Cp,gas	803.25	J/mol×K	833.78	Joback Calculated Property
Cp,gas	818.17	J/mol×K	866.39	Joback Calculated Property
Cp,gas	832.05	J/mol×K	899.00	Joback Calculated Property
Cp,gas	844.89	J/mol×K	931.61	Joback Calculated Property
Cp,gas	856.68	J/mol×K	964.21	Joback Calculated Property
η	[0.0000519; 0.0005942]	Pa×s	[445.70; 768.57]
η	0.0005942	Pa×s	445.70	Joback Calculated Property
η	0.0003180	Pa×s	499.51	Joback Calculated Property
η	0.0001922	Pa×s	553.32	Joback Calculated Property
η	0.0001270	Pa×s	607.13	Joback Calculated Property
η	0.0000898	Pa×s	660.95	Joback Calculated Property
η	0.0000669	Pa×s	714.76	Joback Calculated Property
η	0.0000519	Pa×s	768.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(3-methoxy-4-hexyloxy-phenyl)-2-methyl-propionic acid, methyl ester.

Sources

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

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