Chemical Properties of Sarcosine, N-cyclopropylcarbonyl-, tetradecyl ester

InChI

InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-25-20(23)18-22(2)21(24)19-15-16-19/h19H,3-18H2,1-2H3

InChI Key

KJZNPOSEIIHTIY-UHFFFAOYSA-N

Formula

C21H39NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C1CC1

Molecular Weight¹

353.54

• 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	1.0229		Relay (1.0) Calculated Property
ΔfG°	-65.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-802.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.69	kJ/mol	Joback Calculated Property
ΔvapH°	109.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	5.099		Crippen Calculated Property
McVol	314.880	ml/mol	McGowan Calculated Property
Pc	1113.34	kPa	Joback Calculated Property
Inp	[2677.00; 2677.00]
Inp	2677.00		NIST
Inp	2677.00		NIST
Tboil	623.45	K	Relay (1.0) Calculated Property
Tc	840.10	K	Relay (1.0) Calculated Property
Tfus	319.41	K	Relay (1.0) Calculated Property
Vc	1.217	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1026.13; 1125.15]	J/mol×K	[829.22; 1018.05]
Cp,gas	1026.13	J/mol×K	829.22	Joback Calculated Property
Cp,gas	1045.03	J/mol×K	860.69	Joback Calculated Property
Cp,gas	1062.89	J/mol×K	892.16	Joback Calculated Property
Cp,gas	1079.78	J/mol×K	923.63	Joback Calculated Property
Cp,gas	1095.75	J/mol×K	955.10	Joback Calculated Property
Cp,gas	1110.85	J/mol×K	986.57	Joback Calculated Property
Cp,gas	1125.15	J/mol×K	1018.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-cyclopropylcarbonyl-, tetradecyl ester.

Sources

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

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