Chemical Properties of Sarcosine, N-(cyclopentylcarbonyl)-, pentadecyl ester

InChI

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

InChI Key

BLWITBKTTXSLRO-UHFFFAOYSA-N

Formula

C24H45NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C1CCCC1

Molecular Weight¹

395.62

• 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°	60.84	kJ/mol	Joback Calculated Property
ΔvapH°	121.24	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.96		Relay (1.0) Calculated Property
logPoct/wat	6.269		Crippen Calculated Property
McVol	357.150	ml/mol	McGowan Calculated Property
Inp	[3080.00; 3080.00]
Inp	3080.00		NIST
Inp	3080.00		NIST
Tboil	656.77	K	Relay (1.0) Calculated Property
Tfus	316.72	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1213.51; 1315.50]	J/mol×K	[888.53; 1088.13]
Cp,gas	1213.51	J/mol×K	888.53	Joback Calculated Property
Cp,gas	1233.73	J/mol×K	921.80	Joback Calculated Property
Cp,gas	1252.57	J/mol×K	955.06	Joback Calculated Property
Cp,gas	1270.11	J/mol×K	988.33	Joback Calculated Property
Cp,gas	1286.40	J/mol×K	1021.60	Joback Calculated Property
Cp,gas	1301.51	J/mol×K	1054.87	Joback Calculated Property
Cp,gas	1315.50	J/mol×K	1088.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(cyclopentylcarbonyl)-, pentadecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.