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

InChI

InChI=1S/C22H40O6/c1-3-5-6-7-8-9-10-11-12-15-27-20(23)13-14-21(24)28-18-22(4-2)16-25-19-26-17-22/h3-19H2,1-2H3

InChI Key

MOWXLPNHMBLFKT-UHFFFAOYSA-N

Formula

C22H40O6

SMILES

CCCCCCCCCCCOC(=O)CCC(=O)OCC1(CC)COCOC1

Molecular Weight¹

400.55

• 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°	-486.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1181.45	kJ/mol	Joback Calculated Property
ΔfusH°	59.80	kJ/mol	Joback Calculated Property
ΔvapH°	91.18	kJ/mol	Joback Calculated Property
log10WS	-5.08		Crippen Calculated Property
logPoct/wat	4.785		Crippen Calculated Property
McVol	336.600	ml/mol	McGowan Calculated Property
Pc	1106.68	kPa	Joback Calculated Property
Inp	[2794.00; 2794.00]
Inp	2794.00		NIST
Inp	2794.00		NIST
Tboil	929.03	K	Joback Calculated Property
Tc	1138.36	K	Joback Calculated Property
Tfus	566.44	K	Joback Calculated Property
Vc	1.288	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1159.61; 1274.41]	J/mol×K	[929.03; 1138.36]
Cp,gas	1159.61	J/mol×K	929.03	Joback Calculated Property
Cp,gas	1180.25	J/mol×K	963.92	Joback Calculated Property
Cp,gas	1200.14	J/mol×K	998.81	Joback Calculated Property
Cp,gas	1219.40	J/mol×K	1033.69	Joback Calculated Property
Cp,gas	1238.13	J/mol×K	1068.58	Joback Calculated Property
Cp,gas	1256.43	J/mol×K	1103.47	Joback Calculated Property
Cp,gas	1274.41	J/mol×K	1138.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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