Chemical Properties of Sarcosine, N-(3-methoxybenzoyl)-, nonyl ester

InChI

InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-10-14-25-19(22)16-21(2)20(23)17-12-11-13-18(15-17)24-3/h11-13,15H,4-10,14,16H2,1-3H3

InChI Key

DFHNPWMYNUEVFN-UHFFFAOYSA-N

Formula

C20H31NO4

SMILES

CCCCCCCCCOC(=O)CN(C)C(=O)c1cccc(OC)c1

Molecular Weight¹

349.46

• 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	1.0058		Relay (1.0) Calculated Property
ΔfG°	-136.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-725.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.80	kJ/mol	Joback Calculated Property
ΔvapH°	106.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	4.061		Crippen Calculated Property
McVol	293.760	ml/mol	McGowan Calculated Property
Pc	1339.80	kPa	Joback Calculated Property
Inp	[2731.00; 2731.00]
Inp	2731.00		NIST
Inp	2731.00		NIST
Tboil	660.62	K	Relay (1.0) Calculated Property
Tc	864.07	K	Relay (1.0) Calculated Property
Tfus	307.38	K	Relay (1.0) Calculated Property
Vc	1.093	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[920.18; 1000.44]	J/mol×K	[853.68; 1053.86]
Cp,gas	920.18	J/mol×K	853.68	Joback Calculated Property
Cp,gas	936.33	J/mol×K	887.04	Joback Calculated Property
Cp,gas	951.33	J/mol×K	920.41	Joback Calculated Property
Cp,gas	965.21	J/mol×K	953.77	Joback Calculated Property
Cp,gas	978.00	J/mol×K	987.13	Joback Calculated Property
Cp,gas	989.73	J/mol×K	1020.50	Joback Calculated Property
Cp,gas	1000.44	J/mol×K	1053.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-methoxybenzoyl)-, nonyl ester.

Sources

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

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