Chemical Properties of Succinic acid, naphth-2-ylmethyl trans-hex-3-en-1-yl ester

InChI

InChI=1S/C21H24O4/c1-2-3-4-7-14-24-20(22)12-13-21(23)25-16-17-10-11-18-8-5-6-9-19(18)15-17/h3-6,8-11,15H,2,7,12-14,16H2,1H3/b4-3+

InChI Key

OFNOTDCPCMXRGU-ONEGZZNKSA-N

Formula

C21H24O4

SMILES

CCC=CCCOC(=O)CCC(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

340.41

• 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°	49.76	kJ/mol	Joback Calculated Property
logPoct/wat	4.563		Crippen Calculated Property
McVol	274.110	ml/mol	McGowan Calculated Property
Inp	[2819.00; 2819.00]
Inp	2819.00		NIST
Inp	2819.00		NIST
Tboil	687.46	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	[373.94; 876.03]	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			-3.06140e+01
Coefficient B			1.76712e+00
Coefficient C			-1.11408e-03
Coefficient D			2.53600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.94	J/mol×K	273.00	Calculated Property
Cp,gas	466.35	J/mol×K	353.78	Calculated Property
Cp,gas	547.73	J/mol×K	434.56	Calculated Property
Cp,gas	618.88	J/mol×K	515.33	Calculated Property
Cp,gas	680.62	J/mol×K	596.11	Calculated Property
Cp,gas	733.73	J/mol×K	676.89	Calculated Property
Cp,gas	779.03	J/mol×K	757.67	Calculated Property
Cp,gas	817.31	J/mol×K	838.44	Calculated Property
Cp,gas	849.37	J/mol×K	919.22	Calculated Property
Cp,gas	876.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007714; 0.0000990]	Pa×s	[477.65; 745.65]	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			-1.28788e+01
Coefficient B			2.72808e+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.			477.65
Temperature range, max.			745.65
η	0.0007714	Pa×s	477.65	Calculated Property
η	0.0005517	Pa×s	507.43	Calculated Property
η	0.0004095	Pa×s	537.21	Calculated Property
η	0.0003136	Pa×s	566.98	Calculated Property
η	0.0002467	Pa×s	596.76	Calculated Property
η	0.0001985	Pa×s	626.54	Calculated Property
η	0.0001629	Pa×s	656.32	Calculated Property
η	0.0001360	Pa×s	686.10	Calculated Property
η	0.0001153	Pa×s	715.88	Calculated Property
η	0.0000990	Pa×s	745.65	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, naphth-2-ylmethyl trans-hex-3-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

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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