Chemical Properties of Malonic acid, 10-chlorodecyl isobutyl ester

InChI

InChI=1S/C17H31ClO4/c1-15(2)14-22-17(20)13-16(19)21-12-10-8-6-4-3-5-7-9-11-18/h15H,3-14H2,1-2H3

InChI Key

IJONSIOAQZZMJJ-UHFFFAOYSA-N

Formula

C17H31ClO4

SMILES

CC(C)COC(=O)CC(=O)OCCCCCCCCCCCl

Molecular Weight¹

334.88

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1063.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.03	kJ/mol	Joback Calculated Property
ΔvapH°	101.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.96	eV	Relay (1.0) Calculated Property
logPoct/wat	4.479		Crippen Calculated Property
McVol	277.510	ml/mol	McGowan Calculated Property
Pc	1287.44	kPa	Joback Calculated Property
Inp	[2281.00; 2281.00]
Inp	2281.00		NIST
Inp	2281.00		NIST
Tboil	601.57	K	Relay (1.0) Calculated Property
Tc	791.35	K	Relay (1.0) Calculated Property
Tfus	251.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[822.99; 906.92]	J/mol×K	[777.93; 962.16]
Cp,gas	822.99	J/mol×K	777.93	Joback Calculated Property
Cp,gas	839.25	J/mol×K	808.63	Joback Calculated Property
Cp,gas	854.58	J/mol×K	839.34	Joback Calculated Property
Cp,gas	869.00	J/mol×K	870.04	Joback Calculated Property
Cp,gas	882.53	J/mol×K	900.75	Joback Calculated Property
Cp,gas	895.16	J/mol×K	931.45	Joback Calculated Property
Cp,gas	906.92	J/mol×K	962.16	Joback Calculated Property
η	[0.0000650; 0.0010819]	Pa×s	[440.59; 777.93]
η	0.0010819	Pa×s	440.59	Joback Calculated Property
η	0.0005194	Pa×s	496.81	Joback Calculated Property
η	0.0002895	Pa×s	553.04	Joback Calculated Property
η	0.0001797	Pa×s	609.26	Joback Calculated Property
η	0.0001209	Pa×s	665.48	Joback Calculated Property
η	0.0000866	Pa×s	721.71	Joback Calculated Property
η	0.0000650	Pa×s	777.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 10-chlorodecyl isobutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.