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

InChI

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

InChI Key

LOQHHSSIKMOENL-UHFFFAOYSA-N

Formula

C13H23NO3

SMILES

CCCCCCOC(=O)CN(C)C(=O)C1CC1

Molecular Weight¹

241.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.59; 704.91]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.70940e+01
Coefficient B			1.43084e+00
Coefficient C			-9.02900e-04
Coefficient D			2.14060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.59	J/mol×K	273.00	Calculated Property
Cp,gas	365.58	J/mol×K	353.78	Calculated Property
Cp,gas	431.75	J/mol×K	434.56	Calculated Property
Cp,gas	489.78	J/mol×K	515.33	Calculated Property
Cp,gas	540.35	J/mol×K	596.11	Calculated Property
Cp,gas	584.12	J/mol×K	676.89	Calculated Property
Cp,gas	621.79	J/mol×K	757.67	Calculated Property
Cp,gas	654.03	J/mol×K	838.44	Calculated Property
Cp,gas	681.51	J/mol×K	919.22	Calculated Property
Cp,gas	704.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

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

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