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

InChI

InChI=1S/C20H31NO3/c1-4-5-6-7-8-9-10-14-24-19(22)16-21(3)20(23)18-13-11-12-17(2)15-18/h11-13,15H,4-10,14,16H2,1-3H3

InChI Key

VPUPCPUXZIZVKD-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

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

Molecular Weight¹

333.46

• 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	0.9486		Relay (1.0) Calculated Property
ΔfG°	-31.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-620.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.62	kJ/mol	Joback Calculated Property
ΔvapH°	103.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.361		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1356.63	kPa	Joback Calculated Property
Inp	[2581.00; 2581.00]
Inp	2581.00		NIST
Inp	2581.00		NIST
Tboil	650.62	K	Relay (1.0) Calculated Property
Tc	855.27	K	Relay (1.0) Calculated Property
Tfus	299.09	K	Relay (1.0) Calculated Property
Vc	1.076	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[890.48; 974.62]	J/mol×K	[831.26; 1030.06]
Cp,gas	890.48	J/mol×K	831.26	Joback Calculated Property
Cp,gas	907.08	J/mol×K	864.39	Joback Calculated Property
Cp,gas	922.59	J/mol×K	897.53	Joback Calculated Property
Cp,gas	937.06	J/mol×K	930.66	Joback Calculated Property
Cp,gas	950.53	J/mol×K	963.79	Joback Calculated Property
Cp,gas	963.03	J/mol×K	996.92	Joback Calculated Property
Cp,gas	974.62	J/mol×K	1030.06	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.