Chemical Properties of Sarcosine, N-(2-methoxybenzoyl)-, dodecyl ester

InChI

InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-15-18-28-22(25)19-24(2)23(26)20-16-13-14-17-21(20)27-3/h13-14,16-17H,4-12,15,18-19H2,1-3H3

InChI Key

WBUHIEWJIOOIIY-UHFFFAOYSA-N

Formula

C23H37NO4

SMILES

CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1OC

Molecular Weight¹

391.54

• 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	1.1084		Relay (1.0) Calculated Property
ΔfG°	-111.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-799.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.57	kJ/mol	Joback Calculated Property
ΔvapH°	117.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.37	eV	Relay (1.0) Calculated Property
log10WS	-5.57		Relay (1.0) Calculated Property
logPoct/wat	5.231		Crippen Calculated Property
McVol	336.030	ml/mol	McGowan Calculated Property
Pc	1096.44	kPa	Joback Calculated Property
Inp	[3060.00; 3060.00]
Inp	3060.00		NIST
Inp	3060.00		NIST
Tboil	675.41	K	Relay (1.0) Calculated Property
Tc	882.83	K	Relay (1.0) Calculated Property
Tfus	327.65	K	Relay (1.0) Calculated Property
Vc	1.259	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1101.47; 1183.65]	J/mol×K	[922.32; 1130.08]
Cp,gas	1101.47	J/mol×K	922.32	Joback Calculated Property
Cp,gas	1118.31	J/mol×K	956.95	Joback Calculated Property
Cp,gas	1133.84	J/mol×K	991.57	Joback Calculated Property
Cp,gas	1148.09	J/mol×K	1026.20	Joback Calculated Property
Cp,gas	1161.12	J/mol×K	1060.83	Joback Calculated Property
Cp,gas	1172.95	J/mol×K	1095.45	Joback Calculated Property
Cp,gas	1183.65	J/mol×K	1130.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-methoxybenzoyl)-, dodecyl ester.

Sources

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

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