Chemical Properties of Sarcosine, n-cyclopropylcarbonyl-, heptadecyl ester

InChI

InChI=1S/C24H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-23(26)21-25(2)24(27)22-18-19-22/h22H,3-21H2,1-2H3

InChI Key

VEQOREKLTDPSGH-UHFFFAOYSA-N

Formula

C24H45NO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C1CC1

Molecular Weight¹

395.63

• 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

Property	Value	Unit	Source
ΔfusH°	65.04	kJ/mol	Joback Calculated Property
ΔvapH°	123.15	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.09		Relay (1.0) Calculated Property
logPoct/wat	6.269		Crippen Calculated Property
McVol	357.150	ml/mol	McGowan Calculated Property
Pc	903.97	kPa	Joback Calculated Property
Inp	[3087.00; 3087.00]
Inp	3087.00		NIST
Inp	3087.00		NIST
Tboil	642.91	K	Relay (1.0) Calculated Property
Tc	864.74	K	Relay (1.0) Calculated Property
Tfus	319.42	K	Relay (1.0) Calculated Property

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	[523.94; 1272.41]	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			-4.70930e+01
Coefficient B			2.47584e+00
Coefficient C			-1.50130e-03
Coefficient D			3.44960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	523.94	J/mol×K	273.00	Calculated Property
Cp,gas	656.18	J/mol×K	353.78	Calculated Property
Cp,gas	773.60	J/mol×K	434.56	Calculated Property
Cp,gas	877.30	J/mol×K	515.33	Calculated Property
Cp,gas	968.37	J/mol×K	596.11	Calculated Property
Cp,gas	1047.90	J/mol×K	676.89	Calculated Property
Cp,gas	1116.97	J/mol×K	757.67	Calculated Property
Cp,gas	1176.69	J/mol×K	838.44	Calculated Property
Cp,gas	1228.14	J/mol×K	919.22	Calculated Property
Cp,gas	1272.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-cyclopropylcarbonyl-, heptadecyl ester.

Sources

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

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