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

InChI

InChI=1S/C23H34F3NO3/c1-3-4-5-6-7-8-9-10-11-12-17-30-21(28)18-27(2)22(29)19-13-15-20(16-14-19)23(24,25)26/h13-16H,3-12,17-18H2,1-2H3

InChI Key

JJABBZJXEUIQOW-UHFFFAOYSA-N

Formula

C23H34F3NO3

SMILES

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

Molecular Weight¹

429.52

• 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	1.0678		Relay (1.0) Calculated Property
ΔfG°	-588.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1317.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.21	kJ/mol	Joback Calculated Property
ΔvapH°	111.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-6.46		Relay (1.0) Calculated Property
logPoct/wat	6.242		Crippen Calculated Property
McVol	335.470	ml/mol	McGowan Calculated Property
Pc	1027.94	kPa	Joback Calculated Property
Inp	[2693.00; 2693.00]
Inp	2693.00		NIST
Inp	2693.00		NIST
Tboil	665.35	K	Relay (1.0) Calculated Property
Tc	855.74	K	Relay (1.0) Calculated Property
Tfus	343.19	K	Relay (1.0) Calculated Property
Vc	1.254	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1093.02; 1177.29]	J/mol×K	[894.48; 1095.46]
Cp,gas	1093.02	J/mol×K	894.48	Joback Calculated Property
Cp,gas	1109.61	J/mol×K	927.98	Joback Calculated Property
Cp,gas	1125.08	J/mol×K	961.47	Joback Calculated Property
Cp,gas	1139.52	J/mol×K	994.97	Joback Calculated Property
Cp,gas	1152.98	J/mol×K	1028.46	Joback Calculated Property
Cp,gas	1165.55	J/mol×K	1061.96	Joback Calculated Property
Cp,gas	1177.29	J/mol×K	1095.46	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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