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

InChI

InChI=1S/C15H21NO4/c1-4-5-10-20-14(17)11-16(2)15(18)12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3

InChI Key

PCUDOGKBIDQZNW-UHFFFAOYSA-N

Formula

C15H21NO4

SMILES

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

Molecular Weight¹

279.33

• 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	0.8145		Relay (1.0) Calculated Property
ΔfG°	-178.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-626.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.85	kJ/mol	Joback Calculated Property
ΔvapH°	90.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-2.99		Relay (1.0) Calculated Property
logPoct/wat	2.110		Crippen Calculated Property
McVol	223.310	ml/mol	McGowan Calculated Property
Pc	1971.80	kPa	Joback Calculated Property
Inp	[2268.00; 2268.00]
Inp	2268.00		NIST
Inp	2268.00		NIST
Tboil	625.87	K	Relay (1.0) Calculated Property
Tc	817.83	K	Relay (1.0) Calculated Property
Tfus	317.18	K	Relay (1.0) Calculated Property
Vc	0.823	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[633.65; 708.89]	J/mol×K	[739.28; 941.06]
Cp,gas	633.65	J/mol×K	739.28	Joback Calculated Property
Cp,gas	648.56	J/mol×K	772.91	Joback Calculated Property
Cp,gas	662.50	J/mol×K	806.54	Joback Calculated Property
Cp,gas	675.48	J/mol×K	840.17	Joback Calculated Property
Cp,gas	687.53	J/mol×K	873.80	Joback Calculated Property
Cp,gas	698.66	J/mol×K	907.43	Joback Calculated Property
Cp,gas	708.89	J/mol×K	941.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-methoxybenzoyl)-, butyl ester.

Sources

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

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