Chemical Properties of Succinic acid, 3-ethylphenyl isohexyl ester

InChI

InChI=1S/C18H26O4/c1-4-15-8-5-9-16(13-15)22-18(20)11-10-17(19)21-12-6-7-14(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3

InChI Key

HHKTWNKPZZQQPF-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCc1cccc(OC(=O)CCC(=O)OCCCC(C)C)c1

Molecular Weight¹

306.40

• 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).
• 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°	41.24	kJ/mol	Joback Calculated Property
log10WS	-4.73		Relay (1.0) Calculated Property
logPoct/wat	3.914		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Inp	[2179.00; 2179.00]
Inp	2179.00		NIST
Inp	2179.00		NIST
Tboil	614.54	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 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	[364.98; 843.16]	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			1.60560e+01
Coefficient B			1.47176e+00
Coefficient C			-7.33560e-04
Coefficient D			8.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.98	J/mol×K	273.00	Calculated Property
Cp,gas	448.86	J/mol×K	353.78	Calculated Property
Cp,gas	524.39	J/mol×K	434.56	Calculated Property
Cp,gas	591.86	J/mol×K	515.33	Calculated Property
Cp,gas	651.55	J/mol×K	596.11	Calculated Property
Cp,gas	703.74	J/mol×K	676.89	Calculated Property
Cp,gas	748.72	J/mol×K	757.67	Calculated Property
Cp,gas	786.76	J/mol×K	838.44	Calculated Property
Cp,gas	818.14	J/mol×K	919.22	Calculated Property
Cp,gas	843.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014066; 0.0000853]	Pa×s	[401.22; 669.69]	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			-1.35571e+01
Coefficient B			2.80474e+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.			401.22
Temperature range, max.			669.69
η	0.0014066	Pa×s	401.22	Calculated Property
η	0.0008671	Pa×s	431.05	Calculated Property
η	0.0005691	Pa×s	460.88	Calculated Property
η	0.0003931	Pa×s	490.71	Calculated Property
η	0.0002833	Pa×s	520.54	Calculated Property
η	0.0002116	Pa×s	550.37	Calculated Property
η	0.0001628	Pa×s	580.20	Calculated Property
η	0.0001285	Pa×s	610.03	Calculated Property
η	0.0001037	Pa×s	639.86	Calculated Property
η	0.0000853	Pa×s	669.69	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-ethylphenyl isohexyl 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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