Chemical Properties of Dimethylmalonic acid, 2,5-dichlorophenyl isohexyl ester

InChI

InChI=1S/C17H22Cl2O4/c1-11(2)6-5-9-22-15(20)17(3,4)16(21)23-14-10-12(18)7-8-13(14)19/h7-8,10-11H,5-6,9H2,1-4H3

InChI Key

WQIFXAIHLRXZFT-UHFFFAOYSA-N

Formula

C17H22Cl2O4

SMILES

CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

361.26

• 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°	-305.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-715.73	kJ/mol	Joback Calculated Property
ΔfusH°	36.08	kJ/mol	Joback Calculated Property
ΔvapH°	82.43	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	4.904		Crippen Calculated Property
McVol	265.990	ml/mol	McGowan Calculated Property
Pc	1594.89	kPa	Joback Calculated Property
Inp	[2176.00; 2176.00]
Inp	2176.00		NIST
Inp	2176.00		NIST
Tboil	848.77	K	Joback Calculated Property
Tc	1067.85	K	Joback Calculated Property
Tfus	524.39	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[757.09; 821.36]	J/mol×K	[848.77; 1067.85]
Cp,gas	757.09	J/mol×K	848.77	Joback Calculated Property
Cp,gas	770.43	J/mol×K	885.28	Joback Calculated Property
Cp,gas	782.67	J/mol×K	921.80	Joback Calculated Property
Cp,gas	793.85	J/mol×K	958.31	Joback Calculated Property
Cp,gas	803.99	J/mol×K	994.82	Joback Calculated Property
Cp,gas	813.15	J/mol×K	1031.33	Joback Calculated Property
Cp,gas	821.36	J/mol×K	1067.85	Joback Calculated Property
η	[0.0000458; 0.0004714]	Pa×s	[524.39; 848.77]
η	0.0004714	Pa×s	524.39	Joback Calculated Property
η	0.0002665	Pa×s	578.45	Joback Calculated Property
η	0.0001661	Pa×s	632.52	Joback Calculated Property
η	0.0001115	Pa×s	686.58	Joback Calculated Property
η	0.0000794	Pa×s	740.64	Joback Calculated Property
η	0.0000592	Pa×s	794.71	Joback Calculated Property
η	0.0000458	Pa×s	848.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,5-dichlorophenyl isohexyl ester.

Sources

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

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