Chemical Properties of Succinic acid, cyclohexylmethyl neryl ester

InChI

InChI=1S/C21H34O4/c1-17(2)8-7-9-18(3)14-15-24-20(22)12-13-21(23)25-16-19-10-5-4-6-11-19/h8,14,19H,4-7,9-13,15-16H2,1-3H3/b18-14-

InChI Key

PDGQJGJZIAJVRG-JXAWBTAJSA-N

Formula

C21H34O4

SMILES

CC(C)=CCCC(C)=CCOC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

350.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-174.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-697.19	kJ/mol	Joback Calculated Property
ΔfusH°	45.34	kJ/mol	Joback Calculated Property
ΔvapH°	81.16	kJ/mol	Joback Calculated Property
log10WS	-5.70		Crippen Calculated Property
logPoct/wat	5.126		Crippen Calculated Property
McVol	302.170	ml/mol	McGowan Calculated Property
Pc	1254.81	kPa	Joback Calculated Property
Inp	[2523.00; 2523.00]
Inp	2523.00		NIST
Inp	2523.00		NIST
Tboil	860.09	K	Joback Calculated Property
Tc	1067.62	K	Joback Calculated Property
Tfus	440.05	K	Joback Calculated Property
Vc	1.155	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[974.18; 1066.90]	J/mol×K	[860.09; 1067.62]
Cp,gas	974.18	J/mol×K	860.09	Joback Calculated Property
Cp,gas	992.59	J/mol×K	894.68	Joback Calculated Property
Cp,gas	1009.75	J/mol×K	929.27	Joback Calculated Property
Cp,gas	1025.70	J/mol×K	963.86	Joback Calculated Property
Cp,gas	1040.51	J/mol×K	998.44	Joback Calculated Property
Cp,gas	1054.22	J/mol×K	1033.03	Joback Calculated Property
Cp,gas	1066.90	J/mol×K	1067.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl neryl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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