Chemical Properties of Propanoic acid, 2-dimethylamino-3-(4-methoxyphenyl), methyl ester

InChI

InChI=1S/C13H19NO3/c1-14(2)12(13(15)17-4)9-10-5-7-11(16-3)8-6-10/h5-8,12H,9H2,1-4H3

InChI Key

VIFCXBHBJYGIIQ-UHFFFAOYSA-N

Formula

C13H19NO3

SMILES

COC(=O)C(Cc1ccc(OC)cc1)N(C)C

Molecular Weight¹

237.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-69.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.36	kJ/mol	Joback Calculated Property
ΔfusH°	26.55	kJ/mol	Joback Calculated Property
ΔvapH°	60.69	kJ/mol	Joback Calculated Property
log10WS	-1.61		Crippen Calculated Property
logPoct/wat	1.341		Crippen Calculated Property
McVol	193.560	ml/mol	McGowan Calculated Property
Pc	2235.52	kPa	Joback Calculated Property
Inp	[1690.00; 1690.00]
Inp	1690.00		NIST
Inp	1690.00		NIST
Tboil	639.21	K	Joback Calculated Property
Tc	842.43	K	Joback Calculated Property
Tfus	387.07	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.90; 590.16]	J/mol×K	[639.21; 842.43]
Cp,gas	507.90	J/mol×K	639.21	Joback Calculated Property
Cp,gas	523.84	J/mol×K	673.08	Joback Calculated Property
Cp,gas	538.86	J/mol×K	706.95	Joback Calculated Property
Cp,gas	552.99	J/mol×K	740.82	Joback Calculated Property
Cp,gas	566.24	J/mol×K	774.69	Joback Calculated Property
Cp,gas	578.63	J/mol×K	808.56	Joback Calculated Property
Cp,gas	590.16	J/mol×K	842.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-dimethylamino-3-(4-methoxyphenyl), 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.