Chemical Properties of Dimethylmalonic acid, pentafluorophenyl tridecyl ester

InChI

InChI=1S/C24H33F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-32-22(30)24(2,3)23(31)33-21-19(28)17(26)16(25)18(27)20(21)29/h4-15H2,1-3H3

InChI Key

BLKCAOGREDUWOB-UHFFFAOYSA-N

Formula

C24H33F5O4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

480.51

• 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°	-1223.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1838.41	kJ/mol	Joback Calculated Property
ΔfusH°	63.57	kJ/mol	Joback Calculated Property
ΔvapH°	87.53	kJ/mol	Joback Calculated Property
log10WS	-8.76		Crippen Calculated Property
logPoct/wat	7.168		Crippen Calculated Property
McVol	348.990	ml/mol	McGowan Calculated Property
Pc	875.32	kPa	Joback Calculated Property
Inp	[2394.00; 2394.00]
Inp	2394.00		NIST
Inp	2394.00		NIST
Tboil	945.80	K	Joback Calculated Property
Tc	1160.70	K	Joback Calculated Property
Tfus	598.95	K	Joback Calculated Property
Vc	1.399	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1151.93; 1228.20]	J/mol×K	[945.80; 1160.70]
Cp,gas	1151.93	J/mol×K	945.80	Joback Calculated Property
Cp,gas	1167.96	J/mol×K	981.62	Joback Calculated Property
Cp,gas	1182.60	J/mol×K	1017.43	Joback Calculated Property
Cp,gas	1195.91	J/mol×K	1053.25	Joback Calculated Property
Cp,gas	1207.91	J/mol×K	1089.07	Joback Calculated Property
Cp,gas	1218.67	J/mol×K	1124.88	Joback Calculated Property
Cp,gas	1228.20	J/mol×K	1160.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, pentafluorophenyl tridecyl ester.

Sources

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

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