Chemical Properties of Dimethylmalonic acid, 4-acetylphenyl isohexyl ester

InChI

InChI=1S/C19H26O5/c1-13(2)7-6-12-23-17(21)19(4,5)18(22)24-16-10-8-15(9-11-16)14(3)20/h8-11,13H,6-7,12H2,1-5H3

InChI Key

FKBOFNHBRWSGEG-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

CC(=O)c1ccc(OC(=O)C(C)(C)C(=O)OCCCC(C)C)cc1

Molecular Weight¹

334.41

• 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	0.8415		Relay (1.0) Calculated Property
ΔfG°	-384.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-963.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.85	kJ/mol	Joback Calculated Property
ΔvapH°	93.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-4.31		Relay (1.0) Calculated Property
logPoct/wat	3.800		Crippen Calculated Property
McVol	271.260	ml/mol	McGowan Calculated Property
Pc	1545.13	kPa	Joback Calculated Property
Inp	[2286.00; 2286.00]
Inp	2286.00		NIST
Inp	2286.00		NIST
Tboil	621.29	K	Relay (1.0) Calculated Property
Tc	845.80	K	Relay (1.0) Calculated Property
Tfus	333.48	K	Relay (1.0) Calculated Property
Vc	0.997	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[836.94; 906.31]	J/mol×K	[868.56; 1083.50]
Cp,gas	836.94	J/mol×K	868.56	Joback Calculated Property
Cp,gas	851.33	J/mol×K	904.38	Joback Calculated Property
Cp,gas	864.54	J/mol×K	940.21	Joback Calculated Property
Cp,gas	876.60	J/mol×K	976.03	Joback Calculated Property
Cp,gas	887.56	J/mol×K	1011.85	Joback Calculated Property
Cp,gas	897.45	J/mol×K	1047.67	Joback Calculated Property
Cp,gas	906.31	J/mol×K	1083.50	Joback Calculated Property
η	[0.0000434; 0.0005419]	Pa×s	[524.50; 868.56]
η	0.0005419	Pa×s	524.50	Joback Calculated Property
η	0.0002892	Pa×s	581.84	Joback Calculated Property
η	0.0001727	Pa×s	639.19	Joback Calculated Property
η	0.0001123	Pa×s	696.53	Joback Calculated Property
η	0.0000779	Pa×s	753.87	Joback Calculated Property
η	0.0000570	Pa×s	811.22	Joback Calculated Property
η	0.0000434	Pa×s	868.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 4-acetylphenyl isohexyl ester.

Sources

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

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