Chemical Properties of Sarcosine, N-(4-methoxybenzoyl)-, pentyl ester

InChI

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

InChI Key

BLCXRWGMRXERAH-UHFFFAOYSA-N

Formula

C16H23NO4

SMILES

CCCCCOC(=O)CN(C)C(=O)c1ccc(OC)cc1

Molecular Weight¹

293.36

• ω : Acentric Factor.
• 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).
• 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	0.8544		Relay (1.0) Calculated Property
ΔfG°	-170.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-646.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.44	kJ/mol	Joback Calculated Property
ΔvapH°	93.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Relay (1.0) 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	[2366.00; 2366.00]
Inp	2366.00		NIST
Inp	2366.00		NIST
Tboil	633.27	K	Relay (1.0) Calculated Property
Tc	828.83	K	Relay (1.0) Calculated Property
Tfus	321.01	K	Relay (1.0) Calculated Property
Vc	0.876	m3/kmol	Relay (1.0) 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-(4-methoxybenzoyl)-, pentyl ester.

Sources

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

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