Chemical Properties of Diethylmalonic acid, 4-acetylphenyl ethyl ester

InChI

InChI=1S/C17H22O5/c1-5-17(6-2,15(19)21-7-3)16(20)22-14-10-8-13(9-11-14)12(4)18/h8-11H,5-7H2,1-4H3

InChI Key

GRNIXVZNIVYKBO-UHFFFAOYSA-N

Formula

C17H22O5

SMILES

CCOC(=O)C(CC)(CC)C(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

306.35

• 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°	36.36	kJ/mol	Joback Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	3.164		Crippen Calculated Property
McVol	243.080	ml/mol	McGowan Calculated Property
Inp	[2153.00; 2153.00]
Inp	2153.00		NIST
Inp	2153.00		NIST
Tboil	611.74	K	Relay (1.0) Calculated Property
Tfus	339.31	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	[712.43; 781.05]	J/mol×K	[787.30; 997.99]
Cp,gas	712.43	J/mol×K	787.30	Joback Calculated Property
Cp,gas	726.73	J/mol×K	822.42	Joback Calculated Property
Cp,gas	739.82	J/mol×K	857.53	Joback Calculated Property
Cp,gas	751.77	J/mol×K	892.65	Joback Calculated Property
Cp,gas	762.60	J/mol×K	927.76	Joback Calculated Property
Cp,gas	772.34	J/mol×K	962.88	Joback Calculated Property
Cp,gas	781.05	J/mol×K	997.99	Joback Calculated Property
η	[0.0000504; 0.0009117]	Pa×s	[457.30; 787.30]
η	0.0009117	Pa×s	457.30	Joback Calculated Property
η	0.0004342	Pa×s	512.30	Joback Calculated Property
η	0.0002388	Pa×s	567.30	Joback Calculated Property
η	0.0001460	Pa×s	622.30	Joback Calculated Property
η	0.0000966	Pa×s	677.30	Joback Calculated Property
η	0.0000681	Pa×s	732.30	Joback Calculated Property
η	0.0000504	Pa×s	787.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl ethyl 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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