Chemical Properties of Dimethylmalonic acid, 4-chlorophenyl hexadecyl ester

InChI

InChI=1S/C27H43ClO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-25(29)27(2,3)26(30)32-24-20-18-23(28)19-21-24/h18-21H,4-17,22H2,1-3H3

InChI Key

ZWPCRXXMASOHPN-UHFFFAOYSA-N

Formula

C27H43ClO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

467.08

• 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	1.1700		Relay (1.0) Calculated Property
ΔfG°	-197.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1013.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.69	kJ/mol	Joback Calculated Property
ΔvapH°	128.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-8.04		Relay (1.0) Calculated Property
logPoct/wat	8.296		Crippen Calculated Property
McVol	394.650	ml/mol	McGowan Calculated Property
Pc	854.96	kPa	Joback Calculated Property
Inp	[3105.00; 3105.00]
Inp	3105.00		NIST
Inp	3105.00		NIST
Tboil	677.99	K	Relay (1.0) Calculated Property
Tc	894.53	K	Relay (1.0) Calculated Property
Tfus	318.27	K	Relay (1.0) Calculated Property
Vc	1.478	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1332.20; 1412.33]	J/mol×K	[1035.60; 1269.41]
Cp,gas	1332.20	J/mol×K	1035.60	Joback Calculated Property
Cp,gas	1348.97	J/mol×K	1074.57	Joback Calculated Property
Cp,gas	1364.25	J/mol×K	1113.54	Joback Calculated Property
Cp,gas	1378.13	J/mol×K	1152.50	Joback Calculated Property
Cp,gas	1390.71	J/mol×K	1191.47	Joback Calculated Property
Cp,gas	1402.08	J/mol×K	1230.44	Joback Calculated Property
Cp,gas	1412.33	J/mol×K	1269.41	Joback Calculated Property
η	[0.0000122; 0.0001793]	Pa×s	[609.65; 1035.60]
η	0.0001793	Pa×s	609.65	Joback Calculated Property
η	0.0000907	Pa×s	680.64	Joback Calculated Property
η	0.0000522	Pa×s	751.63	Joback Calculated Property
η	0.0000330	Pa×s	822.62	Joback Calculated Property
η	0.0000225	Pa×s	893.62	Joback Calculated Property
η	0.0000162	Pa×s	964.61	Joback Calculated Property
η	0.0000122	Pa×s	1035.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 4-chlorophenyl hexadecyl ester.

Sources

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

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