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

InChI

InChI=1S/C18H33NO3/c1-3-4-5-6-7-11-14-22-17(20)15-19(2)18(21)16-12-9-8-10-13-16/h16H,3-15H2,1-2H3

InChI Key

ZAGRALKGNKAAQY-UHFFFAOYSA-N

Formula

C18H33NO3

SMILES

CCCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1

Molecular Weight¹

311.46

• 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	0.8281		Relay (1.0) Calculated Property
ΔfG°	-126.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-766.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.62	kJ/mol	Joback Calculated Property
ΔvapH°	94.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-3.91		Relay (1.0) Calculated Property
logPoct/wat	3.929		Crippen Calculated Property
McVol	272.610	ml/mol	McGowan Calculated Property
Pc	1441.35	kPa	Joback Calculated Property
Inp	[2360.00; 2360.00]
Inp	2360.00		NIST
Inp	2360.00		NIST
Tboil	622.75	K	Relay (1.0) Calculated Property
Tc	830.42	K	Relay (1.0) Calculated Property
Tfus	311.94	K	Relay (1.0) Calculated Property
Vc	1.009	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[857.42; 954.95]	J/mol×K	[773.39; 967.23]
Cp,gas	857.42	J/mol×K	773.39	Joback Calculated Property
Cp,gas	876.55	J/mol×K	805.70	Joback Calculated Property
Cp,gas	894.47	J/mol×K	838.00	Joback Calculated Property
Cp,gas	911.24	J/mol×K	870.31	Joback Calculated Property
Cp,gas	926.88	J/mol×K	902.62	Joback Calculated Property
Cp,gas	941.44	J/mol×K	934.92	Joback Calculated Property
Cp,gas	954.95	J/mol×K	967.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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