Chemical Properties of Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C17H29F3O4/c1-5-8-9-10-11-12-23-14(21)16(6-2,7-3)15(22)24-13(4)17(18,19)20/h13H,5-12H2,1-4H3

InChI Key

JCZGOAUZRBUVAU-UHFFFAOYSA-N

Formula

C17H29F3O4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F

Molecular Weight¹

354.40

• 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°	-956.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1494.92	kJ/mol	Joback Calculated Property
ΔfusH°	36.25	kJ/mol	Joback Calculated Property
ΔvapH°	66.32	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	4.800		Crippen Calculated Property
McVol	270.580	ml/mol	McGowan Calculated Property
Pc	1233.74	kPa	Joback Calculated Property
Inp	[1603.00; 1603.00]
Inp	1603.00		NIST
Inp	1603.00		NIST
Tboil	731.85	K	Joback Calculated Property
Tc	907.60	K	Joback Calculated Property
Tfus	417.28	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.32; 902.78]	J/mol×K	[731.85; 907.60]
Cp,gas	818.32	J/mol×K	731.85	Joback Calculated Property
Cp,gas	834.54	J/mol×K	761.14	Joback Calculated Property
Cp,gas	849.87	J/mol×K	790.43	Joback Calculated Property
Cp,gas	864.32	J/mol×K	819.72	Joback Calculated Property
Cp,gas	877.93	J/mol×K	849.01	Joback Calculated Property
Cp,gas	890.74	J/mol×K	878.30	Joback Calculated Property
Cp,gas	902.78	J/mol×K	907.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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