Chemical Properties of Sarcosine, n-pentafluoropropionyl-, isohexyl ester

InChI

InChI=1S/C12H18F5NO3/c1-8(2)5-4-6-21-9(19)7-18(3)10(20)11(13,14)12(15,16)17/h8H,4-7H2,1-3H3

InChI Key

QSNDUJTVQYOINE-UHFFFAOYSA-N

Formula

C12H18F5NO3

SMILES

CC(C)CCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

319.27

• 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	0.6760		Relay (1.0) Calculated Property
ΔfG°	-1172.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1744.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.29	kJ/mol	Joback Calculated Property
ΔvapH°	66.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-3.48		Relay (1.0) Calculated Property
logPoct/wat	2.622		Crippen Calculated Property
McVol	207.780	ml/mol	McGowan Calculated Property
Pc	1676.91	kPa	Joback Calculated Property
Inp	[1414.00; 1414.00]
Inp	1414.00		NIST
Inp	1414.00		NIST
Tboil	495.50	K	Relay (1.0) Calculated Property
Tc	632.25	K	Relay (1.0) Calculated Property
Tfus	250.93	K	Relay (1.0) Calculated Property
Vc	0.766	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.36; 645.21]	J/mol×K	[606.01; 769.01]
Cp,gas	573.36	J/mol×K	606.01	Joback Calculated Property
Cp,gas	587.13	J/mol×K	633.18	Joback Calculated Property
Cp,gas	600.13	J/mol×K	660.34	Joback Calculated Property
Cp,gas	612.41	J/mol×K	687.51	Joback Calculated Property
Cp,gas	623.99	J/mol×K	714.67	Joback Calculated Property
Cp,gas	634.92	J/mol×K	741.84	Joback Calculated Property
Cp,gas	645.21	J/mol×K	769.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluoropropionyl-, isohexyl ester.

Sources

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

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