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

InChI

InChI=1S/C14H20O4/c1-10(2)18-12-7-5-11(9-13(12)16-3)6-8-14(15)17-4/h5,7,9-10H,6,8H2,1-4H3

InChI Key

LXMIJFMUCVNRKF-UHFFFAOYSA-N

Formula

C14H20O4

SMILES

COC(=O)CCc1ccc(OC(C)C)c(OC)c1

Molecular Weight¹

252.31

• 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°	-286.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-633.22	kJ/mol	Joback Calculated Property
ΔfusH°	26.92	kJ/mol	Joback Calculated Property
ΔvapH°	63.95	kJ/mol	Joback Calculated Property
log10WS	-3.16		Crippen Calculated Property
logPoct/wat	2.588		Crippen Calculated Property
McVol	203.540	ml/mol	McGowan Calculated Property
Pc	1991.21	kPa	Joback Calculated Property
Inp	[1710.50; 1710.50]
Inp	1710.50		NIST
Inp	1710.50		NIST
Tboil	677.05	K	Joback Calculated Property
Tc	879.11	K	Joback Calculated Property
Tfus	400.62	K	Joback Calculated Property
Vc	0.765	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[548.23; 629.12]	J/mol×K	[677.05; 879.11]
Cp,gas	548.23	J/mol×K	677.05	Joback Calculated Property
Cp,gas	563.88	J/mol×K	710.73	Joback Calculated Property
Cp,gas	578.68	J/mol×K	744.40	Joback Calculated Property
Cp,gas	592.62	J/mol×K	778.08	Joback Calculated Property
Cp,gas	605.67	J/mol×K	811.76	Joback Calculated Property
Cp,gas	617.84	J/mol×K	845.44	Joback Calculated Property
Cp,gas	629.12	J/mol×K	879.11	Joback Calculated Property
η	[0.0000850; 0.0008086]	Pa×s	[400.62; 677.05]
η	0.0008086	Pa×s	400.62	Joback Calculated Property
η	0.0004578	Pa×s	446.69	Joback Calculated Property
η	0.0002882	Pa×s	492.76	Joback Calculated Property
η	0.0001964	Pa×s	538.84	Joback Calculated Property
η	0.0001422	Pa×s	584.91	Joback Calculated Property
η	0.0001079	Pa×s	630.98	Joback Calculated Property
η	0.0000850	Pa×s	677.05	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.