Chemical Properties of Succinic acid, 2-ethylhexyl neryl ester

InChI

InChI=1S/C22H38O4/c1-6-8-12-20(7-2)17-26-22(24)14-13-21(23)25-16-15-19(5)11-9-10-18(3)4/h10,15,20H,6-9,11-14,16-17H2,1-5H3/b19-15+

InChI Key

JRYFMNHVDFYNJA-CYVLTUHYSA-N

Formula

C22H38O4

SMILES

CCCCC(CC)COC(=O)CCC(=O)OC/C=C(/C)CCC=C(C)C

Molecular Weight¹

366.54

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	55.73	kJ/mol	Joback Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.762		Crippen Calculated Property
McVol	327.120	ml/mol	McGowan Calculated Property
Pc	977.78	kPa	Joback Calculated Property
Inp	[2427.00; 2427.00]
Inp	2427.00		NIST
Inp	2427.00		NIST
Tboil	627.77	K	Relay (1.0) Calculated Property
Tfus	217.13	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1022.83; 1116.37]	J/mol×K	[827.04; 1017.19]
Cp,gas	1022.83	J/mol×K	827.04	Joback Calculated Property
Cp,gas	1041.06	J/mol×K	858.73	Joback Calculated Property
Cp,gas	1058.17	J/mol×K	890.42	Joback Calculated Property
Cp,gas	1074.22	J/mol×K	922.12	Joback Calculated Property
Cp,gas	1089.24	J/mol×K	953.81	Joback Calculated Property
Cp,gas	1103.27	J/mol×K	985.50	Joback Calculated Property
Cp,gas	1116.37	J/mol×K	1017.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-ethylhexyl neryl ester.

Sources

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

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