Chemical Properties of Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester

InChI

InChI=1S/C19H29F7O4/c1-4-7-8-9-10-11-12-29-14(27)16(5-2,6-3)15(28)30-13-17(20,21)18(22,23)19(24,25)26/h4-13H2,1-3H3

InChI Key

YVNZYVKZCKJCQZ-UHFFFAOYSA-N

Formula

C19H29F7O4

SMILES

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

Molecular Weight¹

454.42

• 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	0.9026		Relay (1.0) Calculated Property
ΔfG°	-1711.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-2457.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.44	kJ/mol	Joback Calculated Property
ΔvapH°	87.09	kJ/mol	Relay (1.0) Calculated Property
IE	10.07	eV	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	6.073		Crippen Calculated Property
McVol	305.840	ml/mol	McGowan Calculated Property
Pc	983.31	kPa	Joback Calculated Property
Inp	[1723.00; 1723.00]
Inp	1723.00		NIST
Inp	1723.00		NIST
Tboil	560.62	K	Relay (1.0) Calculated Property
Tc	688.92	K	Relay (1.0) Calculated Property
Tfus	269.04	K	Relay (1.0) Calculated Property
Vc	1.141	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[967.37; 1048.82]	J/mol×K	[768.67; 942.66]
Cp,gas	967.37	J/mol×K	768.67	Joback Calculated Property
Cp,gas	983.11	J/mol×K	797.67	Joback Calculated Property
Cp,gas	997.90	J/mol×K	826.67	Joback Calculated Property
Cp,gas	1011.80	J/mol×K	855.66	Joback Calculated Property
Cp,gas	1024.88	J/mol×K	884.66	Joback Calculated Property
Cp,gas	1037.20	J/mol×K	913.66	Joback Calculated Property
Cp,gas	1048.82	J/mol×K	942.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester.

Sources

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

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