Chemical Properties of Sarcosine, n-heptafluorobutyryl-, nonyl ester

InChI

InChI=1S/C16H24F7NO3/c1-3-4-5-6-7-8-9-10-27-12(25)11-24(2)13(26)14(17,18)15(19,20)16(21,22)23/h3-11H2,1-2H3

InChI Key

AFHWNYPLMYTVFM-UHFFFAOYSA-N

Formula

C16H24F7NO3

SMILES

CCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

411.36

• 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	0.8575		Relay (1.0) Calculated Property
ΔfG°	-1523.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-2191.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.92	kJ/mol	Joback Calculated Property
ΔvapH°	82.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-5.49		Relay (1.0) Calculated Property
logPoct/wat	4.571		Crippen Calculated Property
McVol	267.680	ml/mol	McGowan Calculated Property
Pc	1184.97	kPa	Joback Calculated Property
Inp	[1766.00; 1766.00]
Inp	1766.00		NIST
Inp	1766.00		NIST
Tboil	542.79	K	Relay (1.0) Calculated Property
Tc	669.61	K	Relay (1.0) Calculated Property
Tfus	258.23	K	Relay (1.0) Calculated Property
Vc	1.010	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[805.93; 883.00]	J/mol×K	[693.28; 854.93]
Cp,gas	805.93	J/mol×K	693.28	Joback Calculated Property
Cp,gas	820.73	J/mol×K	720.22	Joback Calculated Property
Cp,gas	834.68	J/mol×K	747.16	Joback Calculated Property
Cp,gas	847.83	J/mol×K	774.10	Joback Calculated Property
Cp,gas	860.24	J/mol×K	801.04	Joback Calculated Property
Cp,gas	871.95	J/mol×K	827.99	Joback Calculated Property
Cp,gas	883.00	J/mol×K	854.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-heptafluorobutyryl-, nonyl ester.

Sources

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

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