Chemical Properties of Sarcosine, n-pentafluorobenzoyl-, isobutyl ester

InChI

InChI=1S/C14H14F5NO3/c1-6(2)5-23-7(21)4-20(3)14(22)8-9(15)11(17)13(19)12(18)10(8)16/h6H,4-5H2,1-3H3

InChI Key

CWQBURVXWAFZDT-UHFFFAOYSA-N

Formula

C14H14F5NO3

SMILES

CC(C)COC(=O)CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

339.26

• 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).
• 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
ΔfG°	-1097.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1428.79	kJ/mol	Joback Calculated Property
ΔfusH°	43.40	kJ/mol	Joback Calculated Property
ΔvapH°	65.82	kJ/mol	Joback Calculated Property
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	2.653		Crippen Calculated Property
McVol	212.200	ml/mol	McGowan Calculated Property
Pc	1713.19	kPa	Joback Calculated Property
Inp	[1737.00; 1737.00]
Inp	1737.00		NIST
Inp	1737.00		NIST
Tboil	709.81	K	Joback Calculated Property
Tc	888.84	K	Joback Calculated Property
Tfus	479.07	K	Joback Calculated Property
Vc	0.844	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.93; 651.20]	J/mol×K	[709.81; 888.84]
Cp,gas	588.93	J/mol×K	709.81	Joback Calculated Property
Cp,gas	600.96	J/mol×K	739.65	Joback Calculated Property
Cp,gas	612.31	J/mol×K	769.49	Joback Calculated Property
Cp,gas	623.01	J/mol×K	799.32	Joback Calculated Property
Cp,gas	633.05	J/mol×K	829.16	Joback Calculated Property
Cp,gas	642.44	J/mol×K	859.00	Joback Calculated Property
Cp,gas	651.20	J/mol×K	888.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluorobenzoyl-, isobutyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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