Chemical Properties of Diethylmalonic acid, 4-acetylphenyl dodecyl ester

InChI

InChI=1S/C27H42O5/c1-5-8-9-10-11-12-13-14-15-16-21-31-25(29)27(6-2,7-3)26(30)32-24-19-17-23(18-20-24)22(4)28/h17-20H,5-16,21H2,1-4H3

InChI Key

YYCLABQHGLIJLC-UHFFFAOYSA-N

Formula

C27H42O5

SMILES

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

Molecular Weight¹

446.63

• 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°	62.26	kJ/mol	Joback Calculated Property
ΔvapH°	129.70	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.63		Relay (1.0) Calculated Property
logPoct/wat	7.065		Crippen Calculated Property
McVol	383.980	ml/mol	McGowan Calculated Property
Pc	864.04	kPa	Joback Calculated Property
Inp	[3117.00; 3117.00]
Inp	3117.00		NIST
Inp	3117.00		NIST
Tboil	684.62	K	Relay (1.0) Calculated Property
Tfus	330.92	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	[1304.53; 1375.87]	J/mol×K	[1016.10; 1244.72]
Cp,gas	1304.53	J/mol×K	1016.10	Joback Calculated Property
Cp,gas	1320.14	J/mol×K	1054.20	Joback Calculated Property
Cp,gas	1334.15	J/mol×K	1092.31	Joback Calculated Property
Cp,gas	1346.65	J/mol×K	1130.41	Joback Calculated Property
Cp,gas	1357.71	J/mol×K	1168.51	Joback Calculated Property
Cp,gas	1367.42	J/mol×K	1206.62	Joback Calculated Property
Cp,gas	1375.87	J/mol×K	1244.72	Joback Calculated Property
η	[0.0000103; 0.0002418]	Pa×s	[570.00; 1016.10]
η	0.0002418	Pa×s	570.00	Joback Calculated Property
η	0.0001054	Pa×s	644.35	Joback Calculated Property
η	0.0000546	Pa×s	718.70	Joback Calculated Property
η	0.0000320	Pa×s	793.05	Joback Calculated Property
η	0.0000205	Pa×s	867.40	Joback Calculated Property
η	0.0000141	Pa×s	941.75	Joback Calculated Property
η	0.0000103	Pa×s	1016.10	Joback Calculated Property

Similar Compounds

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