Chemical Properties of Glutaric acid, hex-2-en-1-yl naphth-2-ylmethyl ester

InChI

InChI=1S/C22H26O4/c1-2-3-4-7-15-25-21(23)11-8-12-22(24)26-17-18-13-14-19-9-5-6-10-20(19)16-18/h4-7,9-10,13-14,16H,2-3,8,11-12,15,17H2,1H3/b7-4-

InChI Key

ZNJDIBPNKZFHHG-QPJJXVBHSA-N

Formula

C22H26O4

SMILES

CCC/C=C/COC(=O)CCCC(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

354.45

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	52.35	kJ/mol	Joback Calculated Property
logPoct/wat	4.953		Crippen Calculated Property
McVol	288.200	ml/mol	McGowan Calculated Property
Inp	[2881.00; 2881.00]
Inp	2881.00		NIST
Inp	2881.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[395.15; 927.62]	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			-3.15230e+01
Coefficient B			1.86212e+00
Coefficient C			-1.16848e-03
Coefficient D			2.65500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	395.15	J/mol×K	273.00	Calculated Property
Cp,gas	492.76	J/mol×K	353.78	Calculated Property
Cp,gas	578.80	J/mol×K	434.56	Calculated Property
Cp,gas	654.11	J/mol×K	515.33	Calculated Property
Cp,gas	719.53	J/mol×K	596.11	Calculated Property
Cp,gas	775.89	J/mol×K	676.89	Calculated Property
Cp,gas	824.05	J/mol×K	757.67	Calculated Property
Cp,gas	864.82	J/mol×K	838.44	Calculated Property
Cp,gas	899.07	J/mol×K	919.22	Calculated Property
Cp,gas	927.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006996; 0.0000887]	Pa×s	[488.92; 761.26]	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			-1.30374e+01
Coefficient B			2.82224e+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.			488.92
Temperature range, max.			761.26
η	0.0006996	Pa×s	488.92	Calculated Property
η	0.0004997	Pa×s	519.18	Calculated Property
η	0.0003704	Pa×s	549.44	Calculated Property
η	0.0002833	Pa×s	579.70	Calculated Property
η	0.0002225	Pa×s	609.96	Calculated Property
η	0.0001788	Pa×s	640.22	Calculated Property
η	0.0001465	Pa×s	670.48	Calculated Property
η	0.0001222	Pa×s	700.74	Calculated Property
η	0.0001034	Pa×s	731.00	Calculated Property
η	0.0000887	Pa×s	761.26	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-2-en-1-yl naphth-2-ylmethyl 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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