Chemical Properties of Diethylmalonic acid, eicosyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C34H54F4O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-41-31(39)33(5-2,6-3)32(40)42-29-26-24-25-28(30(29)35)34(36,37)38/h24-26H,4-23,27H2,1-3H3

InChI Key

SAEOSRXMQZPHSU-UHFFFAOYSA-N

Formula

C34H54F4O4

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

602.78

• 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).
• 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
ΔfG°	-912.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1823.04	kJ/mol	Joback Calculated Property
ΔfusH°	80.15	kJ/mol	Joback Calculated Property
ΔvapH°	107.33	kJ/mol	Joback Calculated Property
log10WS	-12.31		Crippen Calculated Property
logPoct/wat	11.141		Crippen Calculated Property
McVol	488.120	ml/mol	McGowan Calculated Property
Pc	558.62	kPa	Joback Calculated Property
Inp	[3298.00; 3298.00]
Inp	3298.00		NIST
Inp	3298.00		NIST
Tboil	1157.16	K	Joback Calculated Property
Tc	1483.36	K	Joback Calculated Property
Tfus	675.92	K	Joback Calculated Property
Vc	1.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1779.58; 1893.68]	J/mol×K	[1157.16; 1483.36]
Cp,gas	1779.58	J/mol×K	1157.16	Joback Calculated Property
Cp,gas	1803.07	J/mol×K	1211.53	Joback Calculated Property
Cp,gas	1824.24	J/mol×K	1265.89	Joback Calculated Property
Cp,gas	1843.50	J/mol×K	1320.26	Joback Calculated Property
Cp,gas	1861.23	J/mol×K	1374.62	Joback Calculated Property
Cp,gas	1877.83	J/mol×K	1428.99	Joback Calculated Property
Cp,gas	1893.68	J/mol×K	1483.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, eicosyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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