Chemical Properties of Dimethylmalonic acid, isohexyl 2-isopropoxyphenyl ester

InChI

InChI=1S/C20H30O5/c1-14(2)10-9-13-23-18(21)20(5,6)19(22)25-17-12-8-7-11-16(17)24-15(3)4/h7-8,11-12,14-15H,9-10,13H2,1-6H3

InChI Key

HRCWFXDHZHLTDF-UHFFFAOYSA-N

Formula

C20H30O5

SMILES

CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

350.45

• 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).
• 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
ΔfG°	-354.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-872.20	kJ/mol	Joback Calculated Property
ΔfusH°	33.51	kJ/mol	Joback Calculated Property
ΔvapH°	81.70	kJ/mol	Joback Calculated Property
log10WS	-5.00		Crippen Calculated Property
logPoct/wat	4.385		Crippen Calculated Property
McVol	289.650	ml/mol	McGowan Calculated Property
Pc	1359.63	kPa	Joback Calculated Property
Inp	[2133.00; 2133.00]
Inp	2133.00		NIST
Inp	2133.00		NIST
Tboil	859.55	K	Joback Calculated Property
Tc	1069.31	K	Joback Calculated Property
Tfus	493.07	K	Joback Calculated Property
Vc	1.091	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.98; 986.41]	J/mol×K	[859.55; 1069.31]
Cp,gas	908.98	J/mol×K	859.55	Joback Calculated Property
Cp,gas	925.00	J/mol×K	894.51	Joback Calculated Property
Cp,gas	939.73	J/mol×K	929.47	Joback Calculated Property
Cp,gas	953.21	J/mol×K	964.43	Joback Calculated Property
Cp,gas	965.46	J/mol×K	999.39	Joback Calculated Property
Cp,gas	976.52	J/mol×K	1034.35	Joback Calculated Property
Cp,gas	986.41	J/mol×K	1069.31	Joback Calculated Property
η	[0.0000271; 0.0004909]	Pa×s	[493.07; 859.55]
η	0.0004909	Pa×s	493.07	Joback Calculated Property
η	0.0002321	Pa×s	554.15	Joback Calculated Property
η	0.0001273	Pa×s	615.23	Joback Calculated Property
η	0.0000779	Pa×s	676.31	Joback Calculated Property
η	0.0000517	Pa×s	737.39	Joback Calculated Property
η	0.0000365	Pa×s	798.47	Joback Calculated Property
η	0.0000271	Pa×s	859.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isohexyl 2-isopropoxyphenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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