Chemical Properties of Dimethylmalonic acid, 4-chlorophenyl decyl ester

InChI

InChI=1S/C21H31ClO4/c1-4-5-6-7-8-9-10-11-16-25-19(23)21(2,3)20(24)26-18-14-12-17(22)13-15-18/h12-15H,4-11,16H2,1-3H3

InChI Key

IYGRBRODGNJUDE-UHFFFAOYSA-N

Formula

C21H31ClO4

SMILES

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

Molecular Weight¹

382.92

• 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	0.9484		Relay (1.0) Calculated Property
ΔfG°	-248.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-885.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.15	kJ/mol	Joback Calculated Property
ΔvapH°	105.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-6.38		Relay (1.0) Calculated Property
logPoct/wat	5.955		Crippen Calculated Property
McVol	310.110	ml/mol	McGowan Calculated Property
Pc	1236.35	kPa	Joback Calculated Property
Inp	[2488.00; 2488.00]
Inp	2488.00		NIST
Inp	2488.00		NIST
Tboil	636.49	K	Relay (1.0) Calculated Property
Tc	853.01	K	Relay (1.0) Calculated Property
Tfus	305.50	K	Relay (1.0) Calculated Property
Vc	1.150	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[964.91; 1039.89]	J/mol×K	[898.32; 1108.90]
Cp,gas	964.91	J/mol×K	898.32	Joback Calculated Property
Cp,gas	980.17	J/mol×K	933.42	Joback Calculated Property
Cp,gas	994.27	J/mol×K	968.51	Joback Calculated Property
Cp,gas	1007.23	J/mol×K	1003.61	Joback Calculated Property
Cp,gas	1019.13	J/mol×K	1038.71	Joback Calculated Property
Cp,gas	1030.00	J/mol×K	1073.80	Joback Calculated Property
Cp,gas	1039.89	J/mol×K	1108.90	Joback Calculated Property
η	[0.0000317; 0.0003864]	Pa×s	[542.03; 898.32]
η	0.0003864	Pa×s	542.03	Joback Calculated Property
η	0.0002073	Pa×s	601.41	Joback Calculated Property
η	0.0001244	Pa×s	660.79	Joback Calculated Property
η	0.0000812	Pa×s	720.17	Joback Calculated Property
η	0.0000566	Pa×s	779.56	Joback Calculated Property
η	0.0000415	Pa×s	838.94	Joback Calculated Property
η	0.0000317	Pa×s	898.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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