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

InChI

InChI=1S/C13H23NO3/c1-10(2)5-4-8-17-12(15)9-14(3)13(16)11-6-7-11/h10-11H,4-9H2,1-3H3

InChI Key

LUMNSPBBMANNPI-UHFFFAOYSA-N

Formula

C13H23NO3

SMILES

CC(C)CCCOC(=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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.03	kJ/mol	Joback Calculated Property
logPoct/wat	1.834		Crippen Calculated Property
McVol	202.160	ml/mol	McGowan Calculated Property
Inp	[1805.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		NIST
Tboil	563.66	K	Relay (1.0) Calculated Property
Tc	766.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[290.27; 705.44]	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			-3.87760e+01
Coefficient B			1.43676e+00
Coefficient C			-9.06100e-04
Coefficient D			2.13560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.27	J/mol×K	273.00	Calculated Property
Cp,gas	365.57	J/mol×K	353.78	Calculated Property
Cp,gas	431.99	J/mol×K	434.56	Calculated Property
Cp,gas	490.23	J/mol×K	515.33	Calculated Property
Cp,gas	540.95	J/mol×K	596.11	Calculated Property
Cp,gas	584.83	J/mol×K	676.89	Calculated Property
Cp,gas	622.54	J/mol×K	757.67	Calculated Property
Cp,gas	654.76	J/mol×K	838.44	Calculated Property
Cp,gas	682.17	J/mol×K	919.22	Calculated Property
Cp,gas	705.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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