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

InChI

InChI=1S/C22H34O5/c1-3-4-8-16-26-21(23)12-9-13-22(24)27-18-15-20(14-17-25-2)19-10-6-5-7-11-19/h5-7,10-11,20H,3-4,8-9,12-18H2,1-2H3

InChI Key

OANPEYUYKSTHBL-UHFFFAOYSA-N

Formula

C22H34O5

SMILES

CCCCCOC(=O)CCCC(=O)OCCC(CCOC)c1ccccc1

Molecular Weight¹

378.51

• 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).
• IE : Ionization energy (eV).
• 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	0.9977		Relay (1.0) Calculated Property
ΔfH°gas	-967.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.18	kJ/mol	Joback Calculated Property
ΔvapH°	110.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-4.05		Relay (1.0) Calculated Property
logPoct/wat	4.644		Crippen Calculated Property
McVol	317.830	ml/mol	McGowan Calculated Property
Pc	1112.59	kPa	Joback Calculated Property
Inp	[2706.00; 2706.00]
Inp	2706.00		NIST
Inp	2706.00		NIST
Tboil	671.27	K	Relay (1.0) Calculated Property
Tc	856.92	K	Relay (1.0) Calculated Property
Tfus	287.72	K	Relay (1.0) Calculated Property
Vc	1.157	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.96; 1092.34]	J/mol×K	[868.06; 1067.73]
Cp,gas	1013.96	J/mol×K	868.06	Joback Calculated Property
Cp,gas	1030.37	J/mol×K	901.34	Joback Calculated Property
Cp,gas	1045.41	J/mol×K	934.62	Joback Calculated Property
Cp,gas	1059.10	J/mol×K	967.89	Joback Calculated Property
Cp,gas	1071.47	J/mol×K	1001.17	Joback Calculated Property
Cp,gas	1082.54	J/mol×K	1034.45	Joback Calculated Property
Cp,gas	1092.34	J/mol×K	1067.73	Joback Calculated Property
η	[0.0000213; 0.0006996]	Pa×s	[456.01; 868.06]
η	0.0006996	Pa×s	456.01	Joback Calculated Property
η	0.0002671	Pa×s	524.68	Joback Calculated Property
η	0.0001274	Pa×s	593.36	Joback Calculated Property
η	0.0000709	Pa×s	662.03	Joback Calculated Property
η	0.0000440	Pa×s	730.71	Joback Calculated Property
η	0.0000297	Pa×s	799.38	Joback Calculated Property
η	0.0000213	Pa×s	868.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 5-methoxy-3-phenylpentyl pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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