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

InChI

InChI=1S/C29H48F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-40-24(38)26(5-2,6-3)25(39)41-22-27(32,33)29(36,37)28(34,35)23(30)31/h23H,4-22H2,1-3H3

InChI Key

CLDKJRIXJSOQKG-UHFFFAOYSA-N

Formula

C29H48F8O4

SMILES

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

Molecular Weight¹

612.68

• 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	1.2746		Relay (... Calculated Property
ΔfG°	-1824.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-2792.98	kJ/mol	Relay (... Calculated Property
ΔfusH°	67.90	kJ/mol	Joback Calculated Property
ΔvapH°	129.69	kJ/mol	Relay (... Calculated Property
IE	10.18	eV	Relay (... Calculated Property
log10WS	-9.28		Relay (... Calculated Property
logPoct/wat	9.922		Crippen Calculated Property
McVol	448.510	ml/mol	McGowan Calculated Property
Pc	570.69	kPa	Joback Calculated Property
Inp	[2680.00; 2680.00]
Inp	2680.00		NIST
Inp	2680.00		NIST
Tboil	665.31	K	Relay (... Calculated Property
Tc	807.54	K	Relay (... Calculated Property
Tfus	322.67	K	Relay (... Calculated Property
Vc	1.686	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1591.39; 1715.01]	J/mol×K	[996.30; 1259.47]
Cp,gas	1591.39	J/mol×K	996.30	Joback Calculated Property
Cp,gas	1615.29	J/mol×K	1040.16	Joback Calculated Property
Cp,gas	1637.50	J/mol×K	1084.02	Joback Calculated Property
Cp,gas	1658.31	J/mol×K	1127.89	Joback Calculated Property
Cp,gas	1677.99	J/mol×K	1171.75	Joback Calculated Property
Cp,gas	1696.79	J/mol×K	1215.61	Joback Calculated Property
Cp,gas	1715.01	J/mol×K	1259.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptadecyl 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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