Chemical Properties of Succinic acid, naphth-2-ylmethyl pent-4-en-1-yl ester

InChI

InChI=1S/C20H22O4/c1-2-3-6-13-23-19(21)11-12-20(22)24-15-16-9-10-17-7-4-5-8-18(17)14-16/h2,4-5,7-10,14H,1,3,6,11-13,15H2

InChI Key

UIOAIDAKBFNIHV-UHFFFAOYSA-N

Formula

C20H22O4

SMILES

C=CCCCOC(=O)CCC(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

326.39

• 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°	45.68	kJ/mol	Joback Calculated Property
logPoct/wat	4.173		Crippen Calculated Property
McVol	260.020	ml/mol	McGowan Calculated Property
Inp	[2756.00; 2756.00]
Inp	2756.00		NIST
Inp	2756.00		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	[356.92; 826.51]	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			-1.85140e+01
Coefficient B			1.63210e+00
Coefficient C			-9.98780e-04
Coefficient D			2.11700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.92	J/mol×K	273.00	Calculated Property
Cp,gas	443.25	J/mol×K	353.78	Calculated Property
Cp,gas	519.49	J/mol×K	434.56	Calculated Property
Cp,gas	586.29	J/mol×K	515.33	Calculated Property
Cp,gas	644.33	J/mol×K	596.11	Calculated Property
Cp,gas	694.27	J/mol×K	676.89	Calculated Property
Cp,gas	736.79	J/mol×K	757.67	Calculated Property
Cp,gas	772.56	J/mol×K	838.44	Calculated Property
Cp,gas	802.24	J/mol×K	919.22	Calculated Property
Cp,gas	826.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009309; 0.0001346]	Pa×s	[469.70; 723.05]	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			-1.24989e+01
Coefficient B			2.59252e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			469.70
Temperature range, max.			723.05
η	0.0009309	Pa×s	469.70	Calculated Property
η	0.0006813	Pa×s	497.85	Calculated Property
η	0.0005156	Pa×s	526.00	Calculated Property
η	0.0004014	Pa×s	554.15	Calculated Property
η	0.0003202	Pa×s	582.30	Calculated Property
η	0.0002607	Pa×s	610.45	Calculated Property
η	0.0002162	Pa×s	638.60	Calculated Property
η	0.0001822	Pa×s	666.75	Calculated Property
η	0.0001556	Pa×s	694.90	Calculated Property
η	0.0001346	Pa×s	723.05	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, naphth-2-ylmethyl pent-4-en-1-yl 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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