Chemical Properties of Glutaric acid, 2-ethylhexyl 4-acetylphenyl ester

InChI

InChI=1S/C21H30O5/c1-4-6-8-17(5-2)15-25-20(23)9-7-10-21(24)26-19-13-11-18(12-14-19)16(3)22/h11-14,17H,4-10,15H2,1-3H3

InChI Key

PHYGVXYMVQJHQW-UHFFFAOYSA-N

Formula

C21H30O5

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

362.46

• 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).
• 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°	50.61	kJ/mol	Joback Calculated Property
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	4.724		Crippen Calculated Property
McVol	299.440	ml/mol	McGowan Calculated Property
Pc	1242.46	kPa	Joback Calculated Property
Inp	[2732.00; 2732.00]
Inp	2732.00		NIST
Inp	2732.00		NIST
Tboil	661.34	K	Relay (1.0) Calculated Property
Tfus	295.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[941.50; 1010.84]	J/mol×K	[881.61; 1087.23]
Cp,gas	941.50	J/mol×K	881.61	Joback Calculated Property
Cp,gas	956.26	J/mol×K	915.88	Joback Calculated Property
Cp,gas	969.70	J/mol×K	950.15	Joback Calculated Property
Cp,gas	981.84	J/mol×K	984.42	Joback Calculated Property
Cp,gas	992.73	J/mol×K	1018.69	Joback Calculated Property
Cp,gas	1002.39	J/mol×K	1052.96	Joback Calculated Property
Cp,gas	1010.84	J/mol×K	1087.23	Joback Calculated Property
η	[0.0000318; 0.0007007]	Pa×s	[484.96; 881.61]
η	0.0007007	Pa×s	484.96	Joback Calculated Property
η	0.0003072	Pa×s	551.07	Joback Calculated Property
η	0.0001607	Pa×s	617.18	Joback Calculated Property
η	0.0000953	Pa×s	683.28	Joback Calculated Property
η	0.0000620	Pa×s	749.39	Joback Calculated Property
η	0.0000432	Pa×s	815.50	Joback Calculated Property
η	0.0000318	Pa×s	881.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 4-acetylphenyl 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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