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

InChI

InChI=1S/C29H46F2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-34-27(32)29(5-2,6-3)28(33)35-23-24-19-20-25(30)26(31)22-24/h19-20,22H,4-18,21,23H2,1-3H3

InChI Key

PNCDBAMOXGGVCL-UHFFFAOYSA-N

Formula

C29H46F2O4

SMILES

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

Molecular Weight¹

496.67

• 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	1.2114		Relay (1.0) Calculated Property
ΔfG°	-568.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1344.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.45	kJ/mol	Joback Calculated Property
ΔvapH°	130.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-8.13		Relay (1.0) Calculated Property
logPoct/wat	8.449		Crippen Calculated Property
McVol	414.130	ml/mol	McGowan Calculated Property
Pc	738.42	kPa	Joback Calculated Property
Inp	[3048.00; 3048.00]
Inp	3048.00		NIST
Inp	3048.00		NIST
Tboil	677.93	K	Relay (1.0) Calculated Property
Tc	880.49	K	Relay (1.0) Calculated Property
Tfus	303.52	K	Relay (1.0) Calculated Property
Vc	1.527	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1445.37; 1532.43]	J/mol×K	[1047.45; 1294.39]
Cp,gas	1445.37	J/mol×K	1047.45	Joback Calculated Property
Cp,gas	1464.00	J/mol×K	1088.61	Joback Calculated Property
Cp,gas	1480.84	J/mol×K	1129.76	Joback Calculated Property
Cp,gas	1495.99	J/mol×K	1170.92	Joback Calculated Property
Cp,gas	1509.57	J/mol×K	1212.08	Joback Calculated Property
Cp,gas	1521.68	J/mol×K	1253.24	Joback Calculated Property
Cp,gas	1532.43	J/mol×K	1294.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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