Chemical Properties of Diethylmalonic acid, 2-chlorophenyl propyl ester

InChI

InChI=1S/C16H21ClO4/c1-4-11-20-14(18)16(5-2,6-3)15(19)21-13-10-8-7-9-12(13)17/h7-10H,4-6,11H2,1-3H3

InChI Key

NHGYTQNAPZFWFZ-UHFFFAOYSA-N

Formula

C16H21ClO4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1Cl

Molecular Weight¹

312.79

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-752.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.37	kJ/mol	Joback Calculated Property
ΔvapH°	89.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-4.34		Relay (1.0) Calculated Property
logPoct/wat	4.005		Crippen Calculated Property
McVol	239.660	ml/mol	McGowan Calculated Property
Pc	1671.43	kPa	Joback Calculated Property
Inp	[1976.00; 1976.00]
Inp	1976.00		NIST
Inp	1976.00		NIST
Tboil	587.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, 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	[667.50; 739.24]	J/mol×K	[747.98; 957.99]
Cp,gas	667.50	J/mol×K	747.98	Joback Calculated Property
Cp,gas	682.21	J/mol×K	782.98	Joback Calculated Property
Cp,gas	695.77	J/mol×K	817.98	Joback Calculated Property
Cp,gas	708.21	J/mol×K	852.98	Joback Calculated Property
Cp,gas	719.58	J/mol×K	887.99	Joback Calculated Property
Cp,gas	729.91	J/mol×K	922.99	Joback Calculated Property
Cp,gas	739.24	J/mol×K	957.99	Joback Calculated Property
η	[0.0000536; 0.0010995]	Pa×s	[426.02; 747.98]
η	0.0010995	Pa×s	426.02	Joback Calculated Property
η	0.0005014	Pa×s	479.68	Joback Calculated Property
η	0.0002678	Pa×s	533.34	Joback Calculated Property
η	0.0001604	Pa×s	587.00	Joback Calculated Property
η	0.0001047	Pa×s	640.66	Joback Calculated Property
η	0.0000730	Pa×s	694.32	Joback Calculated Property
η	0.0000536	Pa×s	747.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chlorophenyl propyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.