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

InChI

InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-12-17-27-21(24)18-23(2)22(25)19-13-15-20(26-3)16-14-19/h13-16H,4-12,17-18H2,1-3H3

InChI Key

ZIPJJAQHVPGGHV-UHFFFAOYSA-N

Formula

C22H35NO4

SMILES

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

Molecular Weight¹

377.52

• 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	1.0843		Relay (1.0) Calculated Property
ΔfG°	-119.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-775.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.98	kJ/mol	Joback Calculated Property
ΔvapH°	115.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-5.51		Relay (1.0) Calculated Property
logPoct/wat	4.841		Crippen Calculated Property
McVol	321.940	ml/mol	McGowan Calculated Property
Pc	1169.62	kPa	Joback Calculated Property
Inp	[3081.00; 3081.00]
Inp	3081.00		NIST
Inp	3081.00		NIST
Tboil	676.27	K	Relay (1.0) Calculated Property
Tc	877.13	K	Relay (1.0) Calculated Property
Tfus	327.25	K	Relay (1.0) Calculated Property
Vc	1.204	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1040.41; 1121.97]	J/mol×K	[899.44; 1103.83]
Cp,gas	1040.41	J/mol×K	899.44	Joback Calculated Property
Cp,gas	1057.01	J/mol×K	933.51	Joback Calculated Property
Cp,gas	1072.35	J/mol×K	967.57	Joback Calculated Property
Cp,gas	1086.48	J/mol×K	1001.64	Joback Calculated Property
Cp,gas	1099.44	J/mol×K	1035.70	Joback Calculated Property
Cp,gas	1111.25	J/mol×K	1069.77	Joback Calculated Property
Cp,gas	1121.97	J/mol×K	1103.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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