Chemical Properties of Succinic acid, (5-ethyl-1,3-dioxan-5-yl)methyl 2-methylhex-3-yl ester

InChI

InChI=1S/C18H32O6/c1-5-7-15(14(3)4)24-17(20)9-8-16(19)23-12-18(6-2)10-21-13-22-11-18/h14-15H,5-13H2,1-4H3

InChI Key

JEUATORRIVATDY-UHFFFAOYSA-N

Formula

C18H32O6

SMILES

CCCC(OC(=O)CCC(=O)OCC1(CC)COCOC1)C(C)C

Molecular Weight¹

344.44

• 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°	-525.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1109.45	kJ/mol	Joback Calculated Property
ΔfusH°	42.40	kJ/mol	Joback Calculated Property
ΔvapH°	81.50	kJ/mol	Joback Calculated Property
log10WS	-3.28		Crippen Calculated Property
logPoct/wat	3.078		Crippen Calculated Property
McVol	280.240	ml/mol	McGowan Calculated Property
Pc	1472.49	kPa	Joback Calculated Property
Inp	[2241.00; 2241.00]
Inp	2241.00		NIST
Inp	2241.00		NIST
Tboil	836.63	K	Joback Calculated Property
Tc	1041.58	K	Joback Calculated Property
Tfus	491.36	K	Joback Calculated Property
Vc	1.052	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[912.21; 1014.69]	J/mol×K	[836.63; 1041.58]
Cp,gas	912.21	J/mol×K	836.63	Joback Calculated Property
Cp,gas	930.96	J/mol×K	870.79	Joback Calculated Property
Cp,gas	948.93	J/mol×K	904.95	Joback Calculated Property
Cp,gas	966.20	J/mol×K	939.10	Joback Calculated Property
Cp,gas	982.85	J/mol×K	973.26	Joback Calculated Property
Cp,gas	998.99	J/mol×K	1007.42	Joback Calculated Property
Cp,gas	1014.69	J/mol×K	1041.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, (5-ethyl-1,3-dioxan-5-yl)methyl 2-methylhex-3-yl ester.

Sources

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

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