Chemical Properties of Diethylmalonic acid, 2-acethylphenyl butyl ester

InChI

InChI=1S/C19H26O5/c1-5-8-13-23-17(21)19(6-2,7-3)18(22)24-16-12-10-9-11-15(16)14(4)20/h9-12H,5-8,13H2,1-4H3

InChI Key

RDCFRMPQDREMAJ-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1C(C)=O

Molecular Weight¹

334.41

• ω : Acentric Factor.
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8436		Relay (1.0) Calculated Property
ΔfH°gas	-915.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.38	kJ/mol	Joback Calculated Property
ΔvapH°	95.60	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.87		Relay (1.0) Calculated Property
logPoct/wat	3.944		Crippen Calculated Property
McVol	271.260	ml/mol	McGowan Calculated Property
Pc	1535.46	kPa	Joback Calculated Property
Inp	[2199.00; 2199.00]
Inp	2199.00		NIST
Inp	2199.00		NIST
Tboil	617.20	K	Relay (1.0) Calculated Property
Tc	848.60	K	Relay (1.0) Calculated Property
Tfus	315.26	K	Relay (1.0) Calculated Property
Vc	0.971	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[836.40; 905.54]	J/mol×K	[869.00; 1081.69]
Cp,gas	836.40	J/mol×K	869.00	Joback Calculated Property
Cp,gas	850.67	J/mol×K	904.45	Joback Calculated Property
Cp,gas	863.79	J/mol×K	939.90	Joback Calculated Property
Cp,gas	875.80	J/mol×K	975.34	Joback Calculated Property
Cp,gas	886.73	J/mol×K	1010.79	Joback Calculated Property
Cp,gas	896.63	J/mol×K	1046.24	Joback Calculated Property
Cp,gas	905.54	J/mol×K	1081.69	Joback Calculated Property
η	[0.0000474; 0.0004839]	Pa×s	[539.50; 869.00]
η	0.0004839	Pa×s	539.50	Joback Calculated Property
η	0.0002747	Pa×s	594.42	Joback Calculated Property
η	0.0001717	Pa×s	649.33	Joback Calculated Property
η	0.0001154	Pa×s	704.25	Joback Calculated Property
η	0.0000822	Pa×s	759.17	Joback Calculated Property
η	0.0000613	Pa×s	814.08	Joback Calculated Property
η	0.0000474	Pa×s	869.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-acethylphenyl butyl 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.