Chemical Properties of Sarcosine, N-(4-ethylbenzoyl)-, undecyl ester

InChI

InChI=1S/C23H37NO3/c1-4-6-7-8-9-10-11-12-13-18-27-22(25)19-24(3)23(26)21-16-14-20(5-2)15-17-21/h14-17H,4-13,18-19H2,1-3H3

InChI Key

VHTYILDWCGQLJS-UHFFFAOYSA-N

Formula

C23H37NO3

SMILES

CCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(CC)cc1

Molecular Weight¹

375.54

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.0565		Relay (1.0) Calculated Property
ΔfusH°	57.97	kJ/mol	Joback Calculated Property
ΔvapH°	116.97	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	5.395		Crippen Calculated Property
McVol	330.160	ml/mol	McGowan Calculated Property
Pc	1079.22	kPa	Joback Calculated Property
Inp	[2963.00; 2963.00]
Inp	2963.00		NIST
Inp	2963.00		NIST
Tboil	666.90	K	Relay (1.0) Calculated Property
Tc	878.36	K	Relay (1.0) Calculated Property
Tfus	289.38	K	Relay (1.0) Calculated Property
Vc	1.242	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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	[1063.63; 1150.57]	J/mol×K	[882.03; 1083.04]
Cp,gas	1063.63	J/mol×K	882.03	Joback Calculated Property
Cp,gas	1081.01	J/mol×K	915.53	Joback Calculated Property
Cp,gas	1097.17	J/mol×K	949.03	Joback Calculated Property
Cp,gas	1112.15	J/mol×K	982.53	Joback Calculated Property
Cp,gas	1126.01	J/mol×K	1016.03	Joback Calculated Property
Cp,gas	1138.80	J/mol×K	1049.53	Joback Calculated Property
Cp,gas	1150.57	J/mol×K	1083.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-ethylbenzoyl)-, undecyl ester.

Sources

• Cheméo Relay (1.0)
• 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.