Chemical Properties of Succinic acid, 2,4-dichloronaphth-1-yl ethyl ester

InChI

InChI=1S/C16H14Cl2O4/c1-2-21-14(19)7-8-15(20)22-16-11-6-4-3-5-10(11)12(17)9-13(16)18/h3-6,9H,2,7-8H2,1H3

InChI Key

FSJWXEZRUNIYAU-UHFFFAOYSA-N

Formula

C16H14Cl2O4

SMILES

CCOC(=O)CCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

341.19

• 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_c : Critical 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°	44.22	kJ/mol	Joback Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	4.395		Crippen Calculated Property
McVol	232.440	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[2421.00; 2421.00]
Inp	2421.00		NIST
Inp	2421.00		NIST
Tboil	642.94	K	Relay (1.0) Calculated Property
Tc	916.15	K	Relay (1.0) Calculated Property
Tfus	354.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[313.78; 659.11]	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			4.24930e+01
Coefficient B			1.16672e+00
Coefficient C			-6.65000e-04
Coefficient D			1.14900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.78	J/mol×K	273.00	Calculated Property
Cp,gas	377.11	J/mol×K	353.78	Calculated Property
Cp,gas	433.35	J/mol×K	434.56	Calculated Property
Cp,gas	482.86	J/mol×K	515.33	Calculated Property
Cp,gas	526.02	J/mol×K	596.11	Calculated Property
Cp,gas	563.18	J/mol×K	676.89	Calculated Property
Cp,gas	594.70	J/mol×K	757.67	Calculated Property
Cp,gas	620.96	J/mol×K	838.44	Calculated Property
Cp,gas	642.31	J/mol×K	919.22	Calculated Property
Cp,gas	659.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007001; 0.0001595]	Pa×s	[511.26; 730.28]	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			-1.21956e+01
Coefficient B			2.52116e+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.			511.26
Temperature range, max.			730.28
η	0.0007001	Pa×s	511.26	Calculated Property
η	0.0005596	Pa×s	535.60	Calculated Property
η	0.0004560	Pa×s	559.93	Calculated Property
η	0.0003781	Pa×s	584.27	Calculated Property
η	0.0003181	Pa×s	608.60	Calculated Property
η	0.0002713	Pa×s	632.94	Calculated Property
η	0.0002341	Pa×s	657.27	Calculated Property
η	0.0002041	Pa×s	681.61	Calculated Property
η	0.0001797	Pa×s	705.94	Calculated Property
η	0.0001595	Pa×s	730.28	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4-dichloronaphth-1-yl ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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