Chemical Properties of Sarcosine, N-(3-cyclopentylpropionyl)-, hexyl ester

InChI

InChI=1S/C17H31NO3/c1-3-4-5-8-13-21-17(20)14-18(2)16(19)12-11-15-9-6-7-10-15/h15H,3-14H2,1-2H3

InChI Key

ZSZTYULFXLYSOU-UHFFFAOYSA-N

Formula

C17H31NO3

SMILES

CCCCCCOC(=O)CN(C)C(=O)CCC1CCCC1

Molecular Weight¹

297.43

• 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	0.8111		Relay (1.0) Calculated Property
ΔfG°	-123.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-768.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.13	kJ/mol	Joback Calculated Property
ΔvapH°	91.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	3.539		Crippen Calculated Property
McVol	258.520	ml/mol	McGowan Calculated Property
Pc	1522.31	kPa	Joback Calculated Property
Inp	[2285.00; 2285.00]
Inp	2285.00		NIST
Inp	2285.00		NIST
Tboil	619.48	K	Relay (1.0) Calculated Property
Tc	813.64	K	Relay (1.0) Calculated Property
Tfus	273.51	K	Relay (1.0) Calculated Property
Vc	0.959	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[794.64; 889.96]	J/mol×K	[746.24; 936.47]
Cp,gas	794.64	J/mol×K	746.24	Joback Calculated Property
Cp,gas	813.10	J/mol×K	777.94	Joback Calculated Property
Cp,gas	830.49	J/mol×K	809.65	Joback Calculated Property
Cp,gas	846.83	J/mol×K	841.35	Joback Calculated Property
Cp,gas	862.16	J/mol×K	873.06	Joback Calculated Property
Cp,gas	876.53	J/mol×K	904.76	Joback Calculated Property
Cp,gas	889.96	J/mol×K	936.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-cyclopentylpropionyl)-, hexyl ester.

Sources

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

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