Chemical Properties of Sarcosine, N-(3-methoxybenzoyl)-, propyl ester

InChI

InChI=1S/C14H19NO4/c1-4-8-19-13(16)10-15(2)14(17)11-6-5-7-12(9-11)18-3/h5-7,9H,4,8,10H2,1-3H3

InChI Key

PRMBWZPRHZWKCJ-UHFFFAOYSA-N

Formula

C14H19NO4

SMILES

CCCOC(=O)CN(C)C(=O)c1cccc(OC)c1

Molecular Weight¹

265.31

• 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°	-187.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-529.30	kJ/mol	Joback Calculated Property
ΔfusH°	34.26	kJ/mol	Joback Calculated Property
ΔvapH°	70.05	kJ/mol	Joback Calculated Property
log10WS	-2.27		Crippen Calculated Property
logPoct/wat	1.720		Crippen Calculated Property
McVol	209.220	ml/mol	McGowan Calculated Property
Pc	2151.31	kPa	Joback Calculated Property
Inp	[2128.00; 2128.00]
Inp	2128.00		NIST
Inp	2128.00		NIST
Tboil	716.40	K	Joback Calculated Property
Tc	920.18	K	Joback Calculated Property
Tfus	463.27	K	Joback Calculated Property
Vc	0.777	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.34; 652.92]	J/mol×K	[716.40; 920.18]
Cp,gas	579.34	J/mol×K	716.40	Joback Calculated Property
Cp,gas	593.90	J/mol×K	750.36	Joback Calculated Property
Cp,gas	607.52	J/mol×K	784.33	Joback Calculated Property
Cp,gas	620.22	J/mol×K	818.29	Joback Calculated Property
Cp,gas	632.01	J/mol×K	852.25	Joback Calculated Property
Cp,gas	642.91	J/mol×K	886.21	Joback Calculated Property
Cp,gas	652.92	J/mol×K	920.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-methoxybenzoyl)-, propyl ester.

Sources

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

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