Chemical Properties of Sarcosine, N-(cyclohexylcarbonyl)-, propyl ester

InChI

InChI=1S/C13H23NO3/c1-3-9-17-12(15)10-14(2)13(16)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3

InChI Key

JIBHYYAKGHVNNO-UHFFFAOYSA-N

Formula

C13H23NO3

SMILES

CCCOC(=O)CN(C)C(=O)C1CCCCC1

Molecular Weight¹

241.33

• 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	0.6318		Relay (1.0) Calculated Property
ΔfG°	-169.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-665.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.67	kJ/mol	Joback Calculated Property
ΔvapH°	75.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-2.01		Relay (1.0) Calculated Property
logPoct/wat	1.978		Crippen Calculated Property
McVol	202.160	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[1854.00; 1854.00]
Inp	1854.00		NIST
Inp	1854.00		NIST
Tboil	580.66	K	Relay (1.0) Calculated Property
Tc	776.81	K	Relay (1.0) Calculated Property
Tfus	300.92	K	Relay (1.0) Calculated Property
Vc	0.734	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.19; 665.55]	J/mol×K	[658.99; 860.45]
Cp,gas	572.19	J/mol×K	658.99	Joback Calculated Property
Cp,gas	590.39	J/mol×K	692.57	Joback Calculated Property
Cp,gas	607.50	J/mol×K	726.14	Joback Calculated Property
Cp,gas	623.54	J/mol×K	759.72	Joback Calculated Property
Cp,gas	638.55	J/mol×K	793.30	Joback Calculated Property
Cp,gas	652.54	J/mol×K	826.87	Joback Calculated Property
Cp,gas	665.55	J/mol×K	860.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(cyclohexylcarbonyl)-, propyl ester.

Sources

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

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