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

InChI

InChI=1S/C18H28F7NO3/c1-3-4-5-6-7-8-9-10-11-12-29-14(27)13-26(2)15(28)16(19,20)17(21,22)18(23,24)25/h3-13H2,1-2H3

InChI Key

XNTUYWLAGNHYTI-UHFFFAOYSA-N

Formula

C18H28F7NO3

SMILES

CCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

439.41

• 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	0.9329		Relay (1.0) Calculated Property
ΔfG°	-1506.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-2231.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.10	kJ/mol	Joback Calculated Property
ΔvapH°	91.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-6.13		Relay (1.0) Calculated Property
logPoct/wat	5.352		Crippen Calculated Property
McVol	295.860	ml/mol	McGowan Calculated Property
Pc	1042.60	kPa	Joback Calculated Property
Inp	[1962.00; 1962.00]
Inp	1962.00		NIST
Inp	1962.00		NIST
Tboil	565.60	K	Relay (1.0) Calculated Property
Tc	690.54	K	Relay (1.0) Calculated Property
Tfus	267.28	K	Relay (1.0) Calculated Property
Vc	1.118	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[919.34; 1001.23]	J/mol×K	[739.04; 906.47]
Cp,gas	919.34	J/mol×K	739.04	Joback Calculated Property
Cp,gas	935.05	J/mol×K	766.95	Joback Calculated Property
Cp,gas	949.87	J/mol×K	794.85	Joback Calculated Property
Cp,gas	963.84	J/mol×K	822.76	Joback Calculated Property
Cp,gas	977.02	J/mol×K	850.66	Joback Calculated Property
Cp,gas	989.47	J/mol×K	878.57	Joback Calculated Property
Cp,gas	1001.23	J/mol×K	906.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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