Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl undecyl ester

InChI

InChI=1S/C25H39ClO4/c1-4-7-8-9-10-11-12-13-14-18-29-23(27)25(5-2,6-3)24(28)30-20-21-16-15-17-22(26)19-21/h15-17,19H,4-14,18,20H2,1-3H3

InChI Key

BVVNPCMGGBVLMR-UHFFFAOYSA-N

Formula

C25H39ClO4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Cl)c1

Molecular Weight¹

439.03

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.68	kJ/mol	Joback Calculated Property
log10WS	-7.00		Relay (1.0) Calculated Property
logPoct/wat	7.264		Crippen Calculated Property
McVol	366.470	ml/mol	McGowan Calculated Property
Pc	912.73	kPa	Joback Calculated Property
Inp	[2855.00; 2855.00]
Inp	2855.00		NIST
Inp	2855.00		NIST
Tboil	668.83	K	Relay (1.0) Calculated Property
Tfus	285.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[1193.07; 1269.63]	J/mol×K	[953.90; 1168.40]
Cp,gas	1193.07	J/mol×K	953.90	Joback Calculated Property
Cp,gas	1209.11	J/mol×K	989.65	Joback Calculated Property
Cp,gas	1223.75	J/mol×K	1025.40	Joback Calculated Property
Cp,gas	1237.05	J/mol×K	1061.15	Joback Calculated Property
Cp,gas	1249.09	J/mol×K	1096.90	Joback Calculated Property
Cp,gas	1259.92	J/mol×K	1132.65	Joback Calculated Property
Cp,gas	1269.63	J/mol×K	1168.40	Joback Calculated Property
η	[0.0000129; 0.0003328]	Pa×s	[527.45; 953.90]
η	0.0003328	Pa×s	527.45	Joback Calculated Property
η	0.0001402	Pa×s	598.52	Joback Calculated Property
η	0.0000710	Pa×s	669.60	Joback Calculated Property
η	0.0000410	Pa×s	740.67	Joback Calculated Property
η	0.0000260	Pa×s	811.75	Joback Calculated Property
η	0.0000178	Pa×s	882.82	Joback Calculated Property
η	0.0000129	Pa×s	953.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-chlorobenzyl undecyl 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.
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