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

InChI

InChI=1S/C17H26O4/c1-4-5-6-7-12-21-15-10-8-14(13-16(15)19-2)9-11-17(18)20-3/h8,10,13H,4-7,9,11-12H2,1-3H3

InChI Key

CCPIWFREECSGFF-UHFFFAOYSA-N

Formula

C17H26O4

SMILES

CCCCCCOc1ccc(CCC(=O)OC)cc1OC

Molecular Weight¹

294.39

• 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	0.8802		Relay (... Calculated Property
ΔfG°	-258.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-729.08	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.21	kJ/mol	Joback Calculated Property
ΔvapH°	96.49	kJ/mol	Relay (... Calculated Property
IE	7.93	eV	Relay (... Calculated Property
log10WS	-4.12		Relay (... Calculated Property
logPoct/wat	3.760		Crippen Calculated Property
McVol	245.810	ml/mol	McGowan Calculated Property
Pc	1553.67	kPa	Joback Calculated Property
Inp	[2083.80; 2083.80]
Inp	2083.80		NIST
Inp	2083.80		NIST
Tboil	617.43	K	Relay (... Calculated Property
Tc	807.54	K	Relay (... Calculated Property
Tfus	300.55	K	Relay (... Calculated Property
Vc	0.919	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[712.57; 797.20]	J/mol×K	[746.13; 940.06]
Cp,gas	712.57	J/mol×K	746.13	Joback Calculated Property
Cp,gas	729.09	J/mol×K	778.45	Joback Calculated Property
Cp,gas	744.65	J/mol×K	810.77	Joback Calculated Property
Cp,gas	759.24	J/mol×K	843.10	Joback Calculated Property
Cp,gas	772.86	J/mol×K	875.42	Joback Calculated Property
Cp,gas	785.51	J/mol×K	907.74	Joback Calculated Property
Cp,gas	797.20	J/mol×K	940.06	Joback Calculated Property
η	[0.0000641; 0.0005622]	Pa×s	[449.43; 746.13]
η	0.0005622	Pa×s	449.43	Joback Calculated Property
η	0.0003272	Pa×s	498.88	Joback Calculated Property
η	0.0002099	Pa×s	548.33	Joback Calculated Property
η	0.0001450	Pa×s	597.78	Joback Calculated Property
η	0.0001059	Pa×s	647.23	Joback Calculated Property
η	0.0000809	Pa×s	696.68	Joback Calculated Property
η	0.0000641	Pa×s	746.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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