Chemical Properties of Diethylmalonic acid, 4-acetylphenyl octyl ester

InChI

InChI=1S/C23H34O5/c1-5-8-9-10-11-12-17-27-21(25)23(6-2,7-3)22(26)28-20-15-13-19(14-16-20)18(4)24/h13-16H,5-12,17H2,1-4H3

InChI Key

MOTSDYSVCKWWHT-UHFFFAOYSA-N

Formula

C23H34O5

SMILES

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

Molecular Weight¹

390.52

• 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°	51.90	kJ/mol	Joback Calculated Property
ΔvapH°	113.53	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.47		Relay (1.0) Calculated Property
logPoct/wat	5.505		Crippen Calculated Property
McVol	327.620	ml/mol	McGowan Calculated Property
Pc	1097.90	kPa	Joback Calculated Property
Inp	[2705.00; 2705.00]
Inp	2705.00		NIST
Inp	2705.00		NIST
Tboil	656.93	K	Relay (1.0) Calculated Property
Tfus	326.10	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	[1060.63; 1131.33]	J/mol×K	[924.58; 1135.96]
Cp,gas	1060.63	J/mol×K	924.58	Joback Calculated Property
Cp,gas	1075.61	J/mol×K	959.81	Joback Calculated Property
Cp,gas	1089.24	J/mol×K	995.04	Joback Calculated Property
Cp,gas	1101.58	J/mol×K	1030.27	Joback Calculated Property
Cp,gas	1112.67	J/mol×K	1065.50	Joback Calculated Property
Cp,gas	1122.57	J/mol×K	1100.73	Joback Calculated Property
Cp,gas	1131.33	J/mol×K	1135.96	Joback Calculated Property
η	[0.0000198; 0.0004242]	Pa×s	[524.92; 924.58]
η	0.0004242	Pa×s	524.92	Joback Calculated Property
η	0.0001908	Pa×s	591.53	Joback Calculated Property
η	0.0001009	Pa×s	658.14	Joback Calculated Property
η	0.0000600	Pa×s	724.75	Joback Calculated Property
η	0.0000389	Pa×s	791.36	Joback Calculated Property
η	0.0000270	Pa×s	857.97	Joback Calculated Property
η	0.0000198	Pa×s	924.58	Joback Calculated Property

Similar Compounds

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