Chemical Properties of Dimethylmalonic acid, 2,5-dichlorophenyl hexadecyl ester

InChI

InChI=1S/C27H42Cl2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-32-25(30)27(2,3)26(31)33-24-21-22(28)18-19-23(24)29/h18-19,21H,4-17,20H2,1-3H3

InChI Key

VTRHGLRVIXYCGG-UHFFFAOYSA-N

Formula

C27H42Cl2O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

501.53

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.1956		Relay (1.0) Calculated Property
ΔfG°	-219.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1033.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.50	kJ/mol	Joback Calculated Property
ΔvapH°	132.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-8.54		Relay (1.0) Calculated Property
logPoct/wat	8.950		Crippen Calculated Property
McVol	406.890	ml/mol	McGowan Calculated Property
Pc	829.55	kPa	Joback Calculated Property
Inp	[3226.00; 3226.00]
Inp	3226.00		NIST
Inp	3226.00		NIST
Tboil	674.88	K	Relay (1.0) Calculated Property
Tc	913.52	K	Relay (1.0) Calculated Property
Tfus	322.36	K	Relay (1.0) Calculated Property
Vc	1.519	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1355.04; 1427.16]	J/mol×K	[1078.01; 1323.54]
Cp,gas	1355.04	J/mol×K	1078.01	Joback Calculated Property
Cp,gas	1370.60	J/mol×K	1118.93	Joback Calculated Property
Cp,gas	1384.60	J/mol×K	1159.85	Joback Calculated Property
Cp,gas	1397.16	J/mol×K	1200.77	Joback Calculated Property
Cp,gas	1408.37	J/mol×K	1241.69	Joback Calculated Property
Cp,gas	1418.34	J/mol×K	1282.61	Joback Calculated Property
Cp,gas	1427.16	J/mol×K	1323.54	Joback Calculated Property
η	[0.0000103; 0.0001238]	Pa×s	[652.09; 1078.01]
η	0.0001238	Pa×s	652.09	Joback Calculated Property
η	0.0000668	Pa×s	723.08	Joback Calculated Property
η	0.0000402	Pa×s	794.06	Joback Calculated Property
η	0.0000263	Pa×s	865.05	Joback Calculated Property
η	0.0000184	Pa×s	936.04	Joback Calculated Property
η	0.0000135	Pa×s	1007.02	Joback Calculated Property
η	0.0000103	Pa×s	1078.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,5-dichlorophenyl hexadecyl ester.

Sources

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

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