Chemical Properties of Dimethylmalonic acid, monochloride, 2-ethylphenyl ester

InChI

InChI=1S/C13H15ClO3/c1-4-9-7-5-6-8-10(9)17-12(16)13(2,3)11(14)15/h5-8H,4H2,1-3H3

InChI Key

ULZVSXQZZSBOJD-UHFFFAOYSA-N

Formula

C13H15ClO3

SMILES

CCc1ccccc1OC(=O)C(C)(C)C(=O)Cl

Molecular Weight¹

254.71

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.83	kJ/mol	Joback Calculated Property
logPoct/wat	2.946		Crippen Calculated Property
McVol	191.520	ml/mol	McGowan Calculated Property
Inp	[1683.00; 1683.00]
Inp	1683.00		NIST
Inp	1683.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[486.94; 554.99]	J/mol×K	[674.99; 898.83]
Cp,gas	486.94	J/mol×K	674.99	Joback Calculated Property
Cp,gas	500.81	J/mol×K	712.30	Joback Calculated Property
Cp,gas	513.60	J/mol×K	749.60	Joback Calculated Property
Cp,gas	525.37	J/mol×K	786.91	Joback Calculated Property
Cp,gas	536.16	J/mol×K	824.22	Joback Calculated Property
Cp,gas	546.01	J/mol×K	861.53	Joback Calculated Property
Cp,gas	554.99	J/mol×K	898.83	Joback Calculated Property
η	[0.0001203; 0.0016439]	Pa×s	[399.81; 674.99]
η	0.0016439	Pa×s	399.81	Joback Calculated Property
η	0.0008496	Pa×s	445.67	Joback Calculated Property
η	0.0004966	Pa×s	491.54	Joback Calculated Property
η	0.0003182	Pa×s	537.40	Joback Calculated Property
η	0.0002186	Pa×s	583.26	Joback Calculated Property
η	0.0001587	Pa×s	629.13	Joback Calculated Property
η	0.0001203	Pa×s	674.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, 2-ethylphenyl 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.