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

InChI

InChI=1S/C17H31NO3/c1-14(2)7-6-12-21-17(20)13-18(3)16(19)11-10-15-8-4-5-9-15/h14-15H,4-13H2,1-3H3

InChI Key

BMTULLVCUJCXLS-UHFFFAOYSA-N

Formula

C17H31NO3

SMILES

CC(C)CCCOC(=O)CN(C)C(=O)CCC1CCCC1

Molecular Weight¹

297.43

• 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).
• 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
ΔfG°	-125.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-628.86	kJ/mol	Joback Calculated Property
ΔfusH°	37.60	kJ/mol	Joback Calculated Property
ΔvapH°	71.25	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	3.395		Crippen Calculated Property
McVol	258.520	ml/mol	McGowan Calculated Property
Pc	1531.86	kPa	Joback Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		NIST
Tboil	745.80	K	Joback Calculated Property
Tc	938.40	K	Joback Calculated Property
Tfus	431.81	K	Joback Calculated Property
Vc	0.971	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.12; 891.40]	J/mol×K	[745.80; 938.40]
Cp,gas	795.12	J/mol×K	745.80	Joback Calculated Property
Cp,gas	813.83	J/mol×K	777.90	Joback Calculated Property
Cp,gas	831.42	J/mol×K	810.00	Joback Calculated Property
Cp,gas	847.94	J/mol×K	842.10	Joback Calculated Property
Cp,gas	863.41	J/mol×K	874.20	Joback Calculated Property
Cp,gas	877.89	J/mol×K	906.30	Joback Calculated Property
Cp,gas	891.40	J/mol×K	938.40	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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