Chemical Properties of Diethylmalonic acid, 2,2-dichloroethyl heptyl ester

InChI

InChI=1S/C16H28Cl2O4/c1-4-7-8-9-10-11-21-14(19)16(5-2,6-3)15(20)22-12-13(17)18/h13H,4-12H2,1-3H3

InChI Key

PQOKSVSJWIPGKL-UHFFFAOYSA-N

Formula

C16H28Cl2O4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(Cl)Cl

Molecular Weight¹

355.30

• 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	0.8208		Relay (1.0) Calculated Property
ΔfG°	-407.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1015.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.23	kJ/mol	Joback Calculated Property
ΔvapH°	90.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-5.01		Relay (1.0) Calculated Property
logPoct/wat	4.653		Crippen Calculated Property
McVol	275.660	ml/mol	McGowan Calculated Property
Pc	1362.64	kPa	Joback Calculated Property
Inp	[2010.00; 2010.00]
Inp	2010.00		NIST
Inp	2010.00		NIST
Tboil	594.11	K	Relay (1.0) Calculated Property
Tc	794.37	K	Relay (1.0) Calculated Property
Tfus	303.24	K	Relay (1.0) Calculated Property
Vc	0.983	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.19; 872.96]	J/mol×K	[789.25; 982.56]
Cp,gas	796.19	J/mol×K	789.25	Joback Calculated Property
Cp,gas	811.26	J/mol×K	821.47	Joback Calculated Property
Cp,gas	825.38	J/mol×K	853.69	Joback Calculated Property
Cp,gas	838.58	J/mol×K	885.91	Joback Calculated Property
Cp,gas	850.89	J/mol×K	918.12	Joback Calculated Property
Cp,gas	862.34	J/mol×K	950.34	Joback Calculated Property
Cp,gas	872.96	J/mol×K	982.56	Joback Calculated Property
η	[0.0000522; 0.0009059]	Pa×s	[461.66; 789.25]
η	0.0009059	Pa×s	461.66	Joback Calculated Property
η	0.0004378	Pa×s	516.26	Joback Calculated Property
η	0.0002431	Pa×s	570.86	Joback Calculated Property
η	0.0001496	Pa×s	625.45	Joback Calculated Property
η	0.0000995	Pa×s	680.05	Joback Calculated Property
η	0.0000704	Pa×s	734.65	Joback Calculated Property
η	0.0000522	Pa×s	789.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2-dichloroethyl heptyl ester.

Sources

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

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