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

InChI

InChI=1S/C12H10F5NO3/c1-3-21-5(19)4-18(2)12(20)6-7(13)9(15)11(17)10(16)8(6)14/h3-4H2,1-2H3

InChI Key

CIUFHJXMOVARRA-UHFFFAOYSA-N

Formula

C12H10F5NO3

SMILES

CCOC(=O)CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

311.20

• 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°	-1111.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1382.23	kJ/mol	Joback Calculated Property
ΔfusH°	41.74	kJ/mol	Joback Calculated Property
ΔvapH°	61.75	kJ/mol	Joback Calculated Property
log10WS	-3.39		Crippen Calculated Property
logPoct/wat	2.017		Crippen Calculated Property
McVol	184.020	ml/mol	McGowan Calculated Property
Pc	2007.30	kPa	Joback Calculated Property
Inp	[1594.00; 1594.00]
Inp	1594.00		NIST
Inp	1594.00		NIST
Tboil	664.49	K	Joback Calculated Property
Tc	841.75	K	Joback Calculated Property
Tfus	471.53	K	Joback Calculated Property
Vc	0.738	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[485.30; 541.13]	J/mol×K	[664.49; 841.75]
Cp,gas	485.30	J/mol×K	664.49	Joback Calculated Property
Cp,gas	495.99	J/mol×K	694.03	Joback Calculated Property
Cp,gas	506.12	J/mol×K	723.58	Joback Calculated Property
Cp,gas	515.69	J/mol×K	753.12	Joback Calculated Property
Cp,gas	524.71	J/mol×K	782.66	Joback Calculated Property
Cp,gas	533.20	J/mol×K	812.21	Joback Calculated Property
Cp,gas	541.13	J/mol×K	841.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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