Chemical Properties of Diethylmalonic acid, 2,4-dichlorophenyl octyl ester

InChI

InChI=1S/C21H30Cl2O4/c1-4-7-8-9-10-11-14-26-19(24)21(5-2,6-3)20(25)27-18-13-12-16(22)15-17(18)23/h12-13,15H,4-11,14H2,1-3H3

InChI Key

NGRBPYWZWWKLIK-UHFFFAOYSA-N

Formula

C21H30Cl2O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

417.37

• 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).
• 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).
• 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°	53.13	kJ/mol	Joback Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-6.61		Relay (1.0) Calculated Property
logPoct/wat	6.609		Crippen Calculated Property
McVol	322.350	ml/mol	McGowan Calculated Property
Inp	[2592.00; 2592.00]
Inp	2592.00		NIST
Inp	2592.00		NIST
Tboil	637.61	K	Relay (1.0) Calculated Property
Tfus	308.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[977.21; 1043.83]	J/mol×K	[904.79; 1116.18]
Cp,gas	977.21	J/mol×K	904.79	Joback Calculated Property
Cp,gas	991.27	J/mol×K	940.02	Joback Calculated Property
Cp,gas	1004.08	J/mol×K	975.25	Joback Calculated Property
Cp,gas	1015.69	J/mol×K	1010.49	Joback Calculated Property
Cp,gas	1026.16	J/mol×K	1045.72	Joback Calculated Property
Cp,gas	1035.52	J/mol×K	1080.95	Joback Calculated Property
Cp,gas	1043.83	J/mol×K	1116.18	Joback Calculated Property
η	[0.0000208; 0.0003652]	Pa×s	[524.81; 904.79]
η	0.0003652	Pa×s	524.81	Joback Calculated Property
η	0.0001752	Pa×s	588.14	Joback Calculated Property
η	0.0000969	Pa×s	651.47	Joback Calculated Property
η	0.0000595	Pa×s	714.80	Joback Calculated Property
η	0.0000396	Pa×s	778.13	Joback Calculated Property
η	0.0000280	Pa×s	841.46	Joback Calculated Property
η	0.0000208	Pa×s	904.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichlorophenyl octyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.