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

InChI

InChI=1S/C17H25NO4/c1-4-5-6-7-12-22-16(19)13-18(2)17(20)14-8-10-15(21-3)11-9-14/h8-11H,4-7,12-13H2,1-3H3

InChI Key

AKVJNLBWAWJMST-UHFFFAOYSA-N

Formula

C17H25NO4

SMILES

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

Molecular Weight¹

307.38

• 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	0.8940		Relay (1.0) Calculated Property
ΔfG°	-162.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-666.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.03	kJ/mol	Joback Calculated Property
ΔvapH°	96.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.891		Crippen Calculated Property
McVol	251.490	ml/mol	McGowan Calculated Property
Pc	1674.16	kPa	Joback Calculated Property
Inp	[2469.00; 2469.00]
Inp	2469.00		NIST
Inp	2469.00		NIST
Tboil	641.02	K	Relay (1.0) Calculated Property
Tc	838.17	K	Relay (1.0) Calculated Property
Tfus	319.92	K	Relay (1.0) Calculated Property
Vc	0.930	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[745.50; 823.25]	J/mol×K	[785.04; 984.36]
Cp,gas	745.50	J/mol×K	785.04	Joback Calculated Property
Cp,gas	760.98	J/mol×K	818.26	Joback Calculated Property
Cp,gas	775.41	J/mol×K	851.48	Joback Calculated Property
Cp,gas	788.84	J/mol×K	884.70	Joback Calculated Property
Cp,gas	801.27	J/mol×K	917.92	Joback Calculated Property
Cp,gas	812.73	J/mol×K	951.14	Joback Calculated Property
Cp,gas	823.25	J/mol×K	984.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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