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

InChI

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

InChI Key

LXBGDLXBEZBASC-UHFFFAOYSA-N

Formula

C17H31NO3

SMILES

CCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1

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	0.7907		Relay (1.0) Calculated Property
ΔfG°	-135.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-745.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.03	kJ/mol	Joback Calculated Property
ΔvapH°	90.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-3.54		Relay (1.0) Calculated Property
logPoct/wat	3.539		Crippen Calculated Property
McVol	258.520	ml/mol	McGowan Calculated Property
Pc	1552.45	kPa	Joback Calculated Property
Inp	[2253.00; 2253.00]
Inp	2253.00		NIST
Inp	2253.00		NIST
Tboil	615.51	K	Relay (1.0) Calculated Property
Tc	821.16	K	Relay (1.0) Calculated Property
Tfus	308.43	K	Relay (1.0) Calculated Property
Vc	0.954	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[798.36; 895.40]	J/mol×K	[750.51; 944.90]
Cp,gas	798.36	J/mol×K	750.51	Joback Calculated Property
Cp,gas	817.35	J/mol×K	782.91	Joback Calculated Property
Cp,gas	835.17	J/mol×K	815.31	Joback Calculated Property
Cp,gas	851.85	J/mol×K	847.70	Joback Calculated Property
Cp,gas	867.42	J/mol×K	880.10	Joback Calculated Property
Cp,gas	881.93	J/mol×K	912.50	Joback Calculated Property
Cp,gas	895.40	J/mol×K	944.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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