Chemical Properties of Dimethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester

InChI

InChI=1S/C23H34ClFO4/c1-4-5-6-7-8-9-10-11-12-13-17-28-21(26)23(2,3)22(27)29-20-18(24)15-14-16-19(20)25/h14-16H,4-13,17H2,1-3H3

InChI Key

XJPAROOCAYDPSK-UHFFFAOYSA-N

Formula

C23H34ClFO4

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

428.96

• 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°	-435.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1014.66	kJ/mol	Joback Calculated Property
ΔfusH°	54.03	kJ/mol	Joback Calculated Property
ΔvapH°	90.98	kJ/mol	Joback Calculated Property
log10WS	-7.70		Crippen Calculated Property
logPoct/wat	6.875		Crippen Calculated Property
McVol	340.060	ml/mol	McGowan Calculated Property
Pc	1043.27	kPa	Joback Calculated Property
Inp	[2666.00; 2666.00]
Inp	2666.00		NIST
Inp	2666.00		NIST
Tboil	948.33	K	Joback Calculated Property
Tc	1162.05	K	Joback Calculated Property
Tfus	577.68	K	Joback Calculated Property
Vc	1.319	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1091.35; 1165.59]	J/mol×K	[948.33; 1162.05]
Cp,gas	1091.35	J/mol×K	948.33	Joback Calculated Property
Cp,gas	1106.67	J/mol×K	983.95	Joback Calculated Property
Cp,gas	1120.74	J/mol×K	1019.57	Joback Calculated Property
Cp,gas	1133.61	J/mol×K	1055.19	Joback Calculated Property
Cp,gas	1145.34	J/mol×K	1090.81	Joback Calculated Property
Cp,gas	1155.98	J/mol×K	1126.43	Joback Calculated Property
Cp,gas	1165.59	J/mol×K	1162.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl dodecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.