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

InChI

InChI=1S/C16H23NO4/c1-4-5-6-10-21-15(18)12-17(2)16(19)13-8-7-9-14(11-13)20-3/h7-9,11H,4-6,10,12H2,1-3H3

InChI Key

SLWFAWKKVMTFAT-UHFFFAOYSA-N

Formula

C16H23NO4

SMILES

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

Molecular Weight¹

293.36

• 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°	-170.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-570.58	kJ/mol	Joback Calculated Property
ΔfusH°	39.44	kJ/mol	Joback Calculated Property
ΔvapH°	74.50	kJ/mol	Joback Calculated Property
log10WS	-3.11		Crippen Calculated Property
logPoct/wat	2.501		Crippen Calculated Property
McVol	237.400	ml/mol	McGowan Calculated Property
Pc	1813.86	kPa	Joback Calculated Property
Inp	[2328.00; 2328.00]
Inp	2328.00		NIST
Inp	2328.00		NIST
Tboil	762.16	K	Joback Calculated Property
Tc	962.44	K	Joback Calculated Property
Tfus	485.81	K	Joback Calculated Property
Vc	0.889	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.07; 765.67]	J/mol×K	[762.16; 962.44]
Cp,gas	689.07	J/mol×K	762.16	Joback Calculated Property
Cp,gas	704.28	J/mol×K	795.54	Joback Calculated Property
Cp,gas	718.48	J/mol×K	828.92	Joback Calculated Property
Cp,gas	731.71	J/mol×K	862.30	Joback Calculated Property
Cp,gas	743.96	J/mol×K	895.68	Joback Calculated Property
Cp,gas	755.28	J/mol×K	929.06	Joback Calculated Property
Cp,gas	765.67	J/mol×K	962.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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