Chemical Properties of Glutaric acid, isobutyl 5-methoxy-3-phenylpentyl ester

InChI

InChI=1S/C21H32O5/c1-17(2)16-26-21(23)11-7-10-20(22)25-15-13-19(12-14-24-3)18-8-5-4-6-9-18/h4-6,8-9,17,19H,7,10-16H2,1-3H3

InChI Key

BIHRAWDWJULMGB-UHFFFAOYSA-N

Formula

C21H32O5

SMILES

COCCC(CCOC(=O)CCCC(=O)OCC(C)C)c1ccccc1

Molecular Weight¹

364.48

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-963.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.07	kJ/mol	Joback Calculated Property
ΔvapH°	104.55	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.109		Crippen Calculated Property
McVol	303.740	ml/mol	McGowan Calculated Property
Inp	[2563.00; 2563.00]
Inp	2563.00		NIST
Inp	2563.00		NIST
Tboil	662.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[954.67; 1033.43]	J/mol×K	[844.74; 1044.07]
Cp,gas	954.67	J/mol×K	844.74	Joback Calculated Property
Cp,gas	971.08	J/mol×K	877.96	Joback Calculated Property
Cp,gas	986.15	J/mol×K	911.18	Joback Calculated Property
Cp,gas	999.90	J/mol×K	944.41	Joback Calculated Property
Cp,gas	1012.35	J/mol×K	977.63	Joback Calculated Property
Cp,gas	1023.52	J/mol×K	1010.85	Joback Calculated Property
Cp,gas	1033.43	J/mol×K	1044.07	Joback Calculated Property
η	[0.0000228; 0.0009886]	Pa×s	[429.74; 844.74]
η	0.0009886	Pa×s	429.74	Joback Calculated Property
η	0.0003411	Pa×s	498.91	Joback Calculated Property
η	0.0001525	Pa×s	568.07	Joback Calculated Property
η	0.0000812	Pa×s	637.24	Joback Calculated Property
η	0.0000489	Pa×s	706.41	Joback Calculated Property
η	0.0000323	Pa×s	775.57	Joback Calculated Property
η	0.0000228	Pa×s	844.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 5-methoxy-3-phenylpentyl 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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