Chemical Properties of Sarcosine, N-(4-trifluoromethylbenzoyl)-, hexadecyl ester

InChI

InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-34-25(32)22-31(2)26(33)23-17-19-24(20-18-23)27(28,29)30/h17-20H,3-16,21-22H2,1-2H3

InChI Key

NCNYCOAUIVWPDS-UHFFFAOYSA-N

Formula

C27H42F3NO3

SMILES

CCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1

Molecular Weight¹

485.62

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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	1.2129		Relay (1.0) Calculated Property
ΔfG°	-554.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1395.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.57	kJ/mol	Joback Calculated Property
ΔvapH°	127.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-7.55		Relay (1.0) Calculated Property
logPoct/wat	7.802		Crippen Calculated Property
McVol	391.830	ml/mol	McGowan Calculated Property
Pc	814.93	kPa	Joback Calculated Property
Inp	[3299.00; 3299.00]
Inp	3299.00		NIST
Inp	3299.00		NIST
Tboil	693.96	K	Relay (1.0) Calculated Property
Tc	886.56	K	Relay (1.0) Calculated Property
Tfus	349.33	K	Relay (1.0) Calculated Property
Vc	1.471	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1340.88; 1434.83]	J/mol×K	[986.00; 1212.34]
Cp,gas	1340.88	J/mol×K	986.00	Joback Calculated Property
Cp,gas	1359.54	J/mol×K	1023.72	Joback Calculated Property
Cp,gas	1376.84	J/mol×K	1061.45	Joback Calculated Property
Cp,gas	1392.90	J/mol×K	1099.17	Joback Calculated Property
Cp,gas	1407.84	J/mol×K	1136.89	Joback Calculated Property
Cp,gas	1421.78	J/mol×K	1174.62	Joback Calculated Property
Cp,gas	1434.83	J/mol×K	1212.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-trifluoromethylbenzoyl)-, hexadecyl 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.