Chemical Properties of Diethylmalonic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C16H22F8O4/c1-4-7-8-27-11(25)13(5-2,6-3)12(26)28-9-14(19,20)16(23,24)15(21,22)10(17)18/h10H,4-9H2,1-3H3

InChI Key

ZGMPOSGSTMVCIL-UHFFFAOYSA-N

Formula

C16H22F8O4

SMILES

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

Molecular Weight¹

430.33

• 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	0.7951		Relay (... Calculated Property
ΔfG°	-1933.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-2549.11	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.23	kJ/mol	Joback Calculated Property
ΔvapH°	81.45	kJ/mol	Relay (... Calculated Property
IE	10.13	eV	Relay (... Calculated Property
log10WS	-5.68		Relay (... Calculated Property
logPoct/wat	4.850		Crippen Calculated Property
McVol	265.340	ml/mol	McGowan Calculated Property
Pc	1158.50	kPa	Joback Calculated Property
Inp	[1475.00; 1475.00]
Inp	1475.00		NIST
Inp	1475.00		NIST
Tboil	541.11	K	Relay (... Calculated Property
Tc	691.67	K	Relay (... Calculated Property
Tfus	284.66	K	Relay (... Calculated Property
Vc	0.993	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[805.28; 879.02]	J/mol×K	[698.86; 863.27]
Cp,gas	805.28	J/mol×K	698.86	Joback Calculated Property
Cp,gas	819.56	J/mol×K	726.26	Joback Calculated Property
Cp,gas	832.99	J/mol×K	753.66	Joback Calculated Property
Cp,gas	845.60	J/mol×K	781.07	Joback Calculated Property
Cp,gas	857.44	J/mol×K	808.47	Joback Calculated Property
Cp,gas	868.57	J/mol×K	835.87	Joback Calculated Property
Cp,gas	879.02	J/mol×K	863.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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