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

InChI

InChI=1S/C18H26O5/c1-5-14(13(2)3)22-17(19)11-8-12-18(20)23-16-10-7-6-9-15(16)21-4/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3

InChI Key

RIHNCGHVHTZEFU-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

CCC(OC(=O)CCCC(=O)Oc1ccccc1OC)C(C)C

Molecular Weight¹

322.40

• 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).
• 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
ΔfusH°	38.91	kJ/mol	Joback Calculated Property
logPoct/wat	3.749		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Inp	[2251.00; 2251.00]
Inp	2251.00		NIST
Inp	2251.00		NIST
Tboil	626.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.07; 862.19]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.98740e+01
Coefficient B			1.41448e+00
Coefficient C			-6.25760e-04
Coefficient D			3.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	380.07	J/mol×K	273.00	Calculated Property
Cp,gas	463.45	J/mol×K	353.78	Calculated Property
Cp,gas	539.13	J/mol×K	434.56	Calculated Property
Cp,gas	607.22	J/mol×K	515.33	Calculated Property
Cp,gas	667.82	J/mol×K	596.11	Calculated Property
Cp,gas	721.03	J/mol×K	676.89	Calculated Property
Cp,gas	766.97	J/mol×K	757.67	Calculated Property
Cp,gas	805.74	J/mol×K	838.44	Calculated Property
Cp,gas	837.44	J/mol×K	919.22	Calculated Property
Cp,gas	862.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011501; 0.0000608]	Pa×s	[408.45; 686.65]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.40262e+01
Coefficient B			2.96465e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			408.45
Temperature range, max.			686.65
η	0.0011501	Pa×s	408.45	Calculated Property
η	0.0006902	Pa×s	439.36	Calculated Property
η	0.0004429	Pa×s	470.27	Calculated Property
η	0.0003003	Pa×s	501.18	Calculated Property
η	0.0002129	Pa×s	532.09	Calculated Property
η	0.0001568	Pa×s	563.00	Calculated Property
η	0.0001192	Pa×s	593.91	Calculated Property
η	0.0000931	Pa×s	624.82	Calculated Property
η	0.0000745	Pa×s	655.73	Calculated Property
η	0.0000608	Pa×s	686.65	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 2-methoxyphenyl 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

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