Chemical Properties of Diethylmalonic acid, 4-acetylphenyl heptyl ester

InChI

InChI=1S/C22H32O5/c1-5-8-9-10-11-16-26-20(24)22(6-2,7-3)21(25)27-19-14-12-18(13-15-19)17(4)23/h12-15H,5-11,16H2,1-4H3

InChI Key

SQLZEAAQSFKMSM-UHFFFAOYSA-N

Formula

C22H32O5

SMILES

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

Molecular Weight¹

376.49

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.31	kJ/mol	Joback Calculated Property
ΔvapH°	110.10	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.16		Relay (1.0) Calculated Property
logPoct/wat	5.115		Crippen Calculated Property
McVol	313.530	ml/mol	McGowan Calculated Property
Pc	1171.22	kPa	Joback Calculated Property
Inp	[2610.00; 2610.00]
Inp	2610.00		NIST
Inp	2610.00		NIST
Tboil	649.90	K	Relay (1.0) Calculated Property
Tfus	325.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[1000.90; 1071.45]	J/mol×K	[901.70; 1111.10]
Cp,gas	1000.90	J/mol×K	901.70	Joback Calculated Property
Cp,gas	1015.77	J/mol×K	936.60	Joback Calculated Property
Cp,gas	1029.33	J/mol×K	971.50	Joback Calculated Property
Cp,gas	1041.63	J/mol×K	1006.40	Joback Calculated Property
Cp,gas	1052.72	J/mol×K	1041.30	Joback Calculated Property
Cp,gas	1062.64	J/mol×K	1076.20	Joback Calculated Property
Cp,gas	1071.45	J/mol×K	1111.10	Joback Calculated Property
η	[0.0000232; 0.0004854]	Pa×s	[513.65; 901.70]
η	0.0004854	Pa×s	513.65	Joback Calculated Property
η	0.0002202	Pa×s	578.33	Joback Calculated Property
η	0.0001171	Pa×s	643.00	Joback Calculated Property
η	0.0000699	Pa×s	707.67	Joback Calculated Property
η	0.0000455	Pa×s	772.35	Joback Calculated Property
η	0.0000316	Pa×s	837.02	Joback Calculated Property
η	0.0000232	Pa×s	901.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl heptyl 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.
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