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

InChI

InChI=1S/C19H35NO3/c1-3-4-5-6-7-8-12-15-23-18(21)16-20(2)19(22)17-13-10-9-11-14-17/h17H,3-16H2,1-2H3

InChI Key

UMGABMVHSIHMLJ-UHFFFAOYSA-N

Formula

C19H35NO3

SMILES

CCCCCCCCCOC(=O)CN(C)C(=O)C1CCCCC1

Molecular Weight¹

325.49

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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°	45.79	kJ/mol	Joback Calculated Property
ΔvapH°	99.53	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.26		Relay (1.0) Calculated Property
logPoct/wat	4.319		Crippen Calculated Property
McVol	286.700	ml/mol	McGowan Calculated Property
Inp	[2463.00; 2463.00]
Inp	2463.00		NIST
Inp	2463.00		NIST
Tboil	629.87	K	Relay (1.0) Calculated Property
Tfus	307.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[403.19; 1019.79]	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			-5.79110e+01
Coefficient B			1.97204e+00
Coefficient C			-1.09010e-03
Coefficient D			1.95760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.19	J/mol×K	273.00	Calculated Property
Cp,gas	511.99	J/mol×K	353.78	Calculated Property
Cp,gas	609.26	J/mol×K	434.56	Calculated Property
Cp,gas	695.64	J/mol×K	515.33	Calculated Property
Cp,gas	771.75	J/mol×K	596.11	Calculated Property
Cp,gas	838.19	J/mol×K	676.89	Calculated Property
Cp,gas	895.60	J/mol×K	757.67	Calculated Property
Cp,gas	944.59	J/mol×K	838.44	Calculated Property
Cp,gas	985.78	J/mol×K	919.22	Calculated Property
Cp,gas	1019.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(cyclohexylcarbonyl)-, nonyl 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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