Chemical Properties of Glutaric acid, 2-methylpent-3-yl 3-phenylpropyl ester

InChI

InChI=1S/C20H30O4/c1-4-18(16(2)3)24-20(22)14-8-13-19(21)23-15-9-12-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3

InChI Key

ODQMCYJMNDZDQJ-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCC(OC(=O)CCCC(=O)OCCCc1ccccc1)C(C)C

Molecular Weight¹

334.45

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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°	43.29	kJ/mol	Joback Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
logPoct/wat	4.311		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Inp	[2359.00; 2359.00]
Inp	2359.00		NIST
Inp	2359.00		NIST
Tboil	645.94	K	Relay (1.0) Calculated Property
Tfus	273.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[865.82; 949.10]	J/mol×K	[799.44; 997.39]
Cp,gas	865.82	J/mol×K	799.44	Joback Calculated Property
Cp,gas	882.70	J/mol×K	832.43	Joback Calculated Property
Cp,gas	898.35	J/mol×K	865.42	Joback Calculated Property
Cp,gas	912.78	J/mol×K	898.42	Joback Calculated Property
Cp,gas	926.03	J/mol×K	931.41	Joback Calculated Property
Cp,gas	938.12	J/mol×K	964.40	Joback Calculated Property
Cp,gas	949.10	J/mol×K	997.39	Joback Calculated Property
η	[0.0000357; 0.0018053]	Pa×s	[396.24; 799.44]
η	0.0018053	Pa×s	396.24	Joback Calculated Property
η	0.0005844	Pa×s	463.44	Joback Calculated Property
η	0.0002517	Pa×s	530.64	Joback Calculated Property
η	0.0001310	Pa×s	597.84	Joback Calculated Property
η	0.0000778	Pa×s	665.04	Joback Calculated Property
η	0.0000509	Pa×s	732.24	Joback Calculated Property
η	0.0000357	Pa×s	799.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 3-phenylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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