Chemical Properties of Diethylmalonic acid, octyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C18H30F4O4/c1-4-7-8-9-10-11-12-25-15(23)17(5-2,6-3)16(24)26-13-18(21,22)14(19)20/h14H,4-13H2,1-3H3

InChI Key

PMRYSILXJASHAC-UHFFFAOYSA-N

Formula

C18H30F4O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)F

Molecular Weight¹

386.42

• 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°	-1143.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1711.67	kJ/mol	Joback Calculated Property
ΔfusH°	41.92	kJ/mol	Joback Calculated Property
ΔvapH°	67.73	kJ/mol	Joback Calculated Property
log10WS	-5.47		Crippen Calculated Property
logPoct/wat	5.140		Crippen Calculated Property
McVol	286.440	ml/mol	McGowan Calculated Property
Pc	1120.05	kPa	Joback Calculated Property
Inp	[1751.00; 1751.00]
Inp	1751.00		NIST
Inp	1751.00		NIST
Tboil	754.00	K	Joback Calculated Property
Tc	928.27	K	Joback Calculated Property
Tfus	429.14	K	Joback Calculated Property
Vc	1.135	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[883.62; 968.13]	J/mol×K	[754.00; 928.27]
Cp,gas	883.62	J/mol×K	754.00	Joback Calculated Property
Cp,gas	899.87	J/mol×K	783.05	Joback Calculated Property
Cp,gas	915.21	J/mol×K	812.09	Joback Calculated Property
Cp,gas	929.67	J/mol×K	841.14	Joback Calculated Property
Cp,gas	943.29	J/mol×K	870.18	Joback Calculated Property
Cp,gas	956.09	J/mol×K	899.23	Joback Calculated Property
Cp,gas	968.13	J/mol×K	928.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, octyl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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