Chemical Properties of Diethylmalonic acid, 3,4-difluorobenzyl nonyl ester

InChI

InChI=1S/C23H34F2O4/c1-4-7-8-9-10-11-12-15-28-21(26)23(5-2,6-3)22(27)29-17-18-13-14-19(24)20(25)16-18/h13-14,16H,4-12,15,17H2,1-3H3

InChI Key

TZIGXBHGIFZUJI-UHFFFAOYSA-N

Formula

C23H34F2O4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

412.51

• 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	0.9926		Relay (1.0) Calculated Property
ΔfG°	-618.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1222.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.91	kJ/mol	Joback Calculated Property
ΔvapH°	107.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-6.47		Relay (1.0) Calculated Property
logPoct/wat	6.108		Crippen Calculated Property
McVol	329.590	ml/mol	McGowan Calculated Property
Pc	1037.90	kPa	Joback Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	634.87	K	Relay (1.0) Calculated Property
Tc	836.27	K	Relay (1.0) Calculated Property
Tfus	290.68	K	Relay (1.0) Calculated Property
Vc	1.202	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1072.00; 1151.79]	J/mol×K	[910.17; 1115.25]
Cp,gas	1072.00	J/mol×K	910.17	Joback Calculated Property
Cp,gas	1088.19	J/mol×K	944.35	Joback Calculated Property
Cp,gas	1103.16	J/mol×K	978.53	Joback Calculated Property
Cp,gas	1116.96	J/mol×K	1012.71	Joback Calculated Property
Cp,gas	1129.63	J/mol×K	1046.89	Joback Calculated Property
Cp,gas	1141.23	J/mol×K	1081.07	Joback Calculated Property
Cp,gas	1151.79	J/mol×K	1115.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3,4-difluorobenzyl nonyl ester.

Sources

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

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