Chemical Properties of Fumaric acid, naphth-2-yl 2-ethylhexyl ester

InChI

InChI=1S/C22H26O4/c1-3-5-8-17(4-2)16-25-21(23)13-14-22(24)26-20-12-11-18-9-6-7-10-19(18)15-20/h6-7,9-15,17H,3-5,8,16H2,1-2H3/b14-13-

InChI Key

GSKZDCPRCVIIGF-BUHFOSPRSA-N

Formula

C22H26O4

SMILES

CCCCC(CC)COC(=O)/C=C/C(=O)Oc1ccc2ccccc2c1

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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	48.82	kJ/mol	Joback Calculated Property
log10WS	-6.63		Relay (1.0) Calculated Property
logPoct/wat	5.061		Crippen Calculated Property
McVol	288.200	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[2824.00; 2824.00]
Inp	2824.00		NIST
Inp	2824.00		NIST
Tboil	691.35	K	Relay (1.0) Calculated Property
Tfus	323.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[394.84; 928.15]	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			-3.32050e+01
Coefficient B			1.86804e+00
Coefficient C			-1.17168e-03
Coefficient D			2.65000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	394.84	J/mol×K	273.00	Calculated Property
Cp,gas	492.75	J/mol×K	353.78	Calculated Property
Cp,gas	579.05	J/mol×K	434.56	Calculated Property
Cp,gas	654.56	J/mol×K	515.33	Calculated Property
Cp,gas	720.13	J/mol×K	596.11	Calculated Property
Cp,gas	776.60	J/mol×K	676.89	Calculated Property
Cp,gas	824.79	J/mol×K	757.67	Calculated Property
Cp,gas	865.56	J/mol×K	838.44	Calculated Property
Cp,gas	899.73	J/mol×K	919.22	Calculated Property
Cp,gas	928.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007955; 0.0000810]	Pa×s	[473.92; 762.50]	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			-1.31714e+01
Coefficient B			2.86006e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			473.92
Temperature range, max.			762.50
η	0.0007955	Pa×s	473.92	Calculated Property
η	0.0005427	Pa×s	505.98	Calculated Property
η	0.0003875	Pa×s	538.05	Calculated Property
η	0.0002874	Pa×s	570.11	Calculated Property
η	0.0002200	Pa×s	602.18	Calculated Property
η	0.0001730	Pa×s	634.24	Calculated Property
η	0.0001393	Pa×s	666.31	Calculated Property
η	0.0001144	Pa×s	698.37	Calculated Property
η	0.0000955	Pa×s	730.43	Calculated Property
η	0.0000810	Pa×s	762.50	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, naphth-2-yl 2-ethylhexyl ester.

Sources

• Cheméo Relay (1.0)
• 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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