Chemical Properties of Dimethylmalonic acid, octyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C19H25Cl3O4/c1-4-5-6-7-8-9-10-25-17(23)19(2,3)18(24)26-16-14(21)11-13(20)12-15(16)22/h11-12H,4-10H2,1-3H3

InChI Key

JPGLKFYUQBSHPP-UHFFFAOYSA-N

Formula

C19H25Cl3O4

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

423.76

• 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).
• 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
ΔfH°gas	-864.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.75	kJ/mol	Joback Calculated Property
ΔvapH°	105.49	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	6.482		Crippen Calculated Property
McVol	306.410	ml/mol	McGowan Calculated Property
Inp	[2555.00; 2555.00]
Inp	2555.00		NIST
Inp	2555.00		NIST
Tboil	609.31	K	Relay (1.0) Calculated Property
Tfus	306.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[883.26; 940.59]	J/mol×K	[901.44; 1117.27]
Cp,gas	883.26	J/mol×K	901.44	Joback Calculated Property
Cp,gas	895.66	J/mol×K	937.41	Joback Calculated Property
Cp,gas	906.86	J/mol×K	973.38	Joback Calculated Property
Cp,gas	916.91	J/mol×K	1009.35	Joback Calculated Property
Cp,gas	925.86	J/mol×K	1045.32	Joback Calculated Property
Cp,gas	933.73	J/mol×K	1081.30	Joback Calculated Property
Cp,gas	940.59	J/mol×K	1117.27	Joback Calculated Property
η	[0.0000242; 0.0003108]	Pa×s	[544.71; 901.44]
η	0.0003108	Pa×s	544.71	Joback Calculated Property
η	0.0001647	Pa×s	604.17	Joback Calculated Property
η	0.0000979	Pa×s	663.62	Joback Calculated Property
η	0.0000633	Pa×s	723.08	Joback Calculated Property
η	0.0000438	Pa×s	782.53	Joback Calculated Property
η	0.0000319	Pa×s	841.99	Joback Calculated Property
η	0.0000242	Pa×s	901.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, octyl 2,4,6-trichlorophenyl 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.
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