Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl undec-2-enyl ester

InChI

InChI=1S/C19H31F3O4/c1-3-4-5-6-7-8-9-10-11-15-25-17(23)13-12-14-18(24)26-16(2)19(20,21)22/h10-11,16H,3-9,12-15H2,1-2H3/b11-10+

InChI Key

KGIVMRHOPXJLCR-ZHACJKMWSA-N

Formula

C19H31F3O4

SMILES

CCCCCCCCC=CCOC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

380.44

• 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°	-862.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1410.23	kJ/mol	Joback Calculated Property
ΔfusH°	49.04	kJ/mol	Joback Calculated Property
ΔvapH°	72.02	kJ/mol	Joback Calculated Property
log10WS	-6.13		Crippen Calculated Property
logPoct/wat	5.501		Crippen Calculated Property
McVol	294.460	ml/mol	McGowan Calculated Property
Pc	1106.68	kPa	Joback Calculated Property
Inp	[2029.00; 2029.00]
Inp	2029.00		NIST
Inp	2029.00		NIST
Tboil	785.00	K	Joback Calculated Property
Tc	964.58	K	Joback Calculated Property
Tfus	432.32	K	Joback Calculated Property
Vc	1.165	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.47; 993.80]	J/mol×K	[785.00; 964.58]
Cp,gas	908.47	J/mol×K	785.00	Joback Calculated Property
Cp,gas	924.88	J/mol×K	814.93	Joback Calculated Property
Cp,gas	940.36	J/mol×K	844.86	Joback Calculated Property
Cp,gas	954.95	J/mol×K	874.79	Joback Calculated Property
Cp,gas	968.70	J/mol×K	904.72	Joback Calculated Property
Cp,gas	981.64	J/mol×K	934.65	Joback Calculated Property
Cp,gas	993.80	J/mol×K	964.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl undec-2-enyl ester.

Sources

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

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