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

InChI

InChI=1S/C19H30F7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-30-15(28)14-27(2)16(29)17(20,21)18(22,23)19(24,25)26/h3-14H2,1-2H3

InChI Key

KETXVSMXMNGJSG-UHFFFAOYSA-N

Formula

C19H30F7NO3

SMILES

CCCCCCCCCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

453.44

• 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°	-1498.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-2124.36	kJ/mol	Joback Calculated Property
ΔfusH°	51.69	kJ/mol	Joback Calculated Property
ΔvapH°	66.23	kJ/mol	Joback Calculated Property
log10WS	-6.27		Crippen Calculated Property
logPoct/wat	5.742		Crippen Calculated Property
McVol	309.950	ml/mol	McGowan Calculated Property
Pc	980.85	kPa	Joback Calculated Property
Inp	[2056.00; 2056.00]
Inp	2056.00		NIST
Inp	2056.00		NIST
Tboil	761.92	K	Joback Calculated Property
Tc	933.26	K	Joback Calculated Property
Tfus	469.84	K	Joback Calculated Property
Vc	1.240	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[977.45; 1061.98]	J/mol×K	[761.92; 933.26]
Cp,gas	977.45	J/mol×K	761.92	Joback Calculated Property
Cp,gas	993.68	J/mol×K	790.48	Joback Calculated Property
Cp,gas	1008.97	J/mol×K	819.03	Joback Calculated Property
Cp,gas	1023.39	J/mol×K	847.59	Joback Calculated Property
Cp,gas	1036.99	J/mol×K	876.15	Joback Calculated Property
Cp,gas	1049.83	J/mol×K	904.70	Joback Calculated Property
Cp,gas	1061.98	J/mol×K	933.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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