Chemical Properties of Sarcosine, N-(2-mehtylbenzoyl)-, pentyl ester

InChI

InChI=1S/C16H23NO3/c1-4-5-8-11-20-15(18)12-17(3)16(19)14-10-7-6-9-13(14)2/h6-7,9-10H,4-5,8,11-12H2,1-3H3

InChI Key

PLVANQDRPVCGRZ-UHFFFAOYSA-N

Formula

C16H23NO3

SMILES

CCCCCOC(=O)CN(C)C(=O)c1ccccc1C

Molecular Weight¹

277.36

• 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	0.7858		Relay (1.0) Calculated Property
ΔfG°	-65.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-532.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.25	kJ/mol	Joback Calculated Property
ΔvapH°	89.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	2.800		Crippen Calculated Property
McVol	231.530	ml/mol	McGowan Calculated Property
Pc	1840.41	kPa	Joback Calculated Property
Inp	[2127.00; 2127.00]
Inp	2127.00		NIST
Inp	2127.00		NIST
Tboil	612.42	K	Relay (1.0) Calculated Property
Tc	822.46	K	Relay (1.0) Calculated Property
Tfus	303.09	K	Relay (1.0) Calculated Property
Vc	0.854	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.97; 740.37]	J/mol×K	[739.74; 940.76]
Cp,gas	660.97	J/mol×K	739.74	Joback Calculated Property
Cp,gas	676.57	J/mol×K	773.24	Joback Calculated Property
Cp,gas	691.17	J/mol×K	806.75	Joback Calculated Property
Cp,gas	704.83	J/mol×K	840.25	Joback Calculated Property
Cp,gas	717.55	J/mol×K	873.75	Joback Calculated Property
Cp,gas	729.39	J/mol×K	907.26	Joback Calculated Property
Cp,gas	740.37	J/mol×K	940.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-mehtylbenzoyl)-, pentyl ester.

Sources

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

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