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

InChI

InChI=1S/C16H28O6/c1-3-5-6-9-21-14(17)7-8-15(18)22-12-16(4-2)10-19-13-20-11-16/h3-13H2,1-2H3

InChI Key

PGIYOGUDGKZGLR-UHFFFAOYSA-N

Formula

C16H28O6

SMILES

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

Molecular Weight¹

316.39

• 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°	-537.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1057.61	kJ/mol	Joback Calculated Property
ΔfusH°	44.26	kJ/mol	Joback Calculated Property
ΔvapH°	77.82	kJ/mol	Joback Calculated Property
log10WS	-2.57		Crippen Calculated Property
logPoct/wat	2.444		Crippen Calculated Property
McVol	252.060	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[2185.00; 2185.00]
Inp	2185.00		NIST
Inp	2185.00		NIST
Tboil	791.75	K	Joback Calculated Property
Tc	993.05	K	Joback Calculated Property
Tfus	498.82	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.51; 888.28]	J/mol×K	[791.75; 993.05]
Cp,gas	792.51	J/mol×K	791.75	Joback Calculated Property
Cp,gas	810.06	J/mol×K	825.30	Joback Calculated Property
Cp,gas	826.86	J/mol×K	858.85	Joback Calculated Property
Cp,gas	843.01	J/mol×K	892.40	Joback Calculated Property
Cp,gas	858.58	J/mol×K	925.95	Joback Calculated Property
Cp,gas	873.64	J/mol×K	959.50	Joback Calculated Property
Cp,gas	888.28	J/mol×K	993.05	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.