Chemical Properties of Sarcosine, N-(2-trifluoromethylbenzoyl)-, octyl ester

InChI

InChI=1S/C19H26F3NO3/c1-3-4-5-6-7-10-13-26-17(24)14-23(2)18(25)15-11-8-9-12-16(15)19(20,21)22/h8-9,11-12H,3-7,10,13-14H2,1-2H3

InChI Key

CCDGTDJEJYTRRP-UHFFFAOYSA-N

Formula

C19H26F3NO3

SMILES

CCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

373.41

• 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	0.9103		Relay (1.0) Calculated Property
ΔfG°	-621.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1229.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.85	kJ/mol	Joback Calculated Property
ΔvapH°	93.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.681		Crippen Calculated Property
McVol	279.110	ml/mol	McGowan Calculated Property
Pc	1336.86	kPa	Joback Calculated Property
Inp	[2334.00; 2334.00]
Inp	2334.00		NIST
Inp	2334.00		NIST
Tboil	629.88	K	Relay (1.0) Calculated Property
Tc	821.02	K	Relay (1.0) Calculated Property
Tfus	315.06	K	Relay (1.0) Calculated Property
Vc	1.037	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[855.60; 933.06]	J/mol×K	[802.96; 993.34]
Cp,gas	855.60	J/mol×K	802.96	Joback Calculated Property
Cp,gas	870.79	J/mol×K	834.69	Joback Calculated Property
Cp,gas	884.99	J/mol×K	866.42	Joback Calculated Property
Cp,gas	898.27	J/mol×K	898.15	Joback Calculated Property
Cp,gas	910.68	J/mol×K	929.88	Joback Calculated Property
Cp,gas	922.26	J/mol×K	961.61	Joback Calculated Property
Cp,gas	933.06	J/mol×K	993.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, octyl ester.

Sources

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

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