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

InChI

InChI=1S/C14H25NO3/c1-3-4-10-18-13(16)11-15(2)14(17)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3

InChI Key

GWCPHHFWKCSNBT-UHFFFAOYSA-N

Formula

C14H25NO3

SMILES

CCCCOC(=O)CN(C)C(=O)C1CCCCC1

Molecular Weight¹

255.35

• 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	0.6730		Relay (1.0) Calculated Property
ΔfG°	-160.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-684.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.26	kJ/mol	Joback Calculated Property
ΔvapH°	80.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-2.33		Relay (1.0) Calculated Property
logPoct/wat	2.368		Crippen Calculated Property
McVol	216.250	ml/mol	McGowan Calculated Property
Pc	1975.31	kPa	Joback Calculated Property
Inp	[1957.00; 1957.00]
Inp	1957.00		NIST
Inp	1957.00		NIST
Tboil	589.13	K	Relay (1.0) Calculated Property
Tc	789.12	K	Relay (1.0) Calculated Property
Tfus	294.80	K	Relay (1.0) Calculated Property
Vc	0.789	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.06; 721.71]	J/mol×K	[681.87; 880.92]
Cp,gas	627.06	J/mol×K	681.87	Joback Calculated Property
Cp,gas	645.52	J/mol×K	715.05	Joback Calculated Property
Cp,gas	662.87	J/mol×K	748.22	Joback Calculated Property
Cp,gas	679.13	J/mol×K	781.40	Joback Calculated Property
Cp,gas	694.34	J/mol×K	814.57	Joback Calculated Property
Cp,gas	708.53	J/mol×K	847.75	Joback Calculated Property
Cp,gas	721.71	J/mol×K	880.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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