Chemical Properties of Dimethylmalonic acid, 4-chlorophenyl isobutyl ester

InChI

InChI=1S/C15H19ClO4/c1-10(2)9-19-13(17)15(3,4)14(18)20-12-7-5-11(16)6-8-12/h5-8,10H,9H2,1-4H3

InChI Key

FIMZKLFPBAKZDH-UHFFFAOYSA-N

Formula

C15H19ClO4

SMILES

CC(C)COC(=O)C(C)(C)C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

298.76

• 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	0.6734		Relay (1.0) Calculated Property
ΔfG°	-301.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-777.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.09	kJ/mol	Joback Calculated Property
ΔvapH°	80.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	3.471		Crippen Calculated Property
McVol	225.570	ml/mol	McGowan Calculated Property
Pc	1957.87	kPa	Joback Calculated Property
Inp	[1866.00; 1866.00]
Inp	1866.00		NIST
Inp	1866.00		NIST
Tboil	587.49	K	Relay (1.0) Calculated Property
Tc	796.21	K	Relay (1.0) Calculated Property
Tfus	318.74	K	Relay (1.0) Calculated Property
Vc	0.823	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.79; 692.44]	J/mol×K	[760.60; 980.46]
Cp,gas	622.79	J/mol×K	760.60	Joback Calculated Property
Cp,gas	636.99	J/mol×K	797.24	Joback Calculated Property
Cp,gas	650.11	J/mol×K	833.89	Joback Calculated Property
Cp,gas	662.17	J/mol×K	870.53	Joback Calculated Property
Cp,gas	673.23	J/mol×K	907.17	Joback Calculated Property
Cp,gas	683.31	J/mol×K	943.82	Joback Calculated Property
Cp,gas	692.44	J/mol×K	980.46	Joback Calculated Property
η	[0.0000711; 0.0008588]	Pa×s	[459.41; 760.60]
η	0.0008588	Pa×s	459.41	Joback Calculated Property
η	0.0004620	Pa×s	509.61	Joback Calculated Property
η	0.0002778	Pa×s	559.81	Joback Calculated Property
η	0.0001816	Pa×s	610.00	Joback Calculated Property
η	0.0001267	Pa×s	660.20	Joback Calculated Property
η	0.0000929	Pa×s	710.40	Joback Calculated Property
η	0.0000711	Pa×s	760.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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