Chemical Properties of Glutaric acid, oct-1-en-3-yl naphth-2-ylmethyl ester

InChI

InChI=1S/C24H30O4/c1-3-5-6-12-22(4-2)28-24(26)14-9-13-23(25)27-18-19-15-16-20-10-7-8-11-21(20)17-19/h4,7-8,10-11,15-17,22H,2-3,5-6,9,12-14,18H2,1H3

InChI Key

QMQATFFPEQDZTB-UHFFFAOYSA-N

Formula

C24H30O4

SMILES

C=CC(CCCCC)OC(=O)CCCC(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

382.50

• 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°	52.52	kJ/mol	Joback Calculated Property
logPoct/wat	5.731		Crippen Calculated Property
McVol	316.380	ml/mol	McGowan Calculated Property
Inp	[2986.00; 2986.00]
Inp	2986.00		NIST
Inp	2986.00		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	[441.46; 1033.41]	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			-2.38320e+01
Coefficient B			2.01802e+00
Coefficient C			-1.21958e-03
Coefficient D			2.58800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	441.46	J/mol×K	273.00	Calculated Property
Cp,gas	548.92	J/mol×K	353.78	Calculated Property
Cp,gas	644.04	J/mol×K	434.56	Calculated Property
Cp,gas	727.66	J/mol×K	515.33	Calculated Property
Cp,gas	800.58	J/mol×K	596.11	Calculated Property
Cp,gas	863.62	J/mol×K	676.89	Calculated Property
Cp,gas	917.61	J/mol×K	757.67	Calculated Property
Cp,gas	963.36	J/mol×K	838.44	Calculated Property
Cp,gas	1001.68	J/mol×K	919.22	Calculated Property
Cp,gas	1033.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007076; 0.0000784]	Pa×s	[499.78; 787.80]	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			-1.32703e+01
Coefficient B			3.00698e+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.			499.78
Temperature range, max.			787.80
η	0.0007076	Pa×s	499.78	Calculated Property
η	0.0004926	Pa×s	531.78	Calculated Property
η	0.0003574	Pa×s	563.79	Calculated Property
η	0.0002684	Pa×s	595.79	Calculated Property
η	0.0002075	Pa×s	627.79	Calculated Property
η	0.0001645	Pa×s	659.79	Calculated Property
η	0.0001332	Pa×s	691.80	Calculated Property
η	0.0001099	Pa×s	723.80	Calculated Property
η	0.0000922	Pa×s	755.80	Calculated Property
η	0.0000784	Pa×s	787.80	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, oct-1-en-3-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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