Chemical Properties of Diethyl suberate (CAS 2050-23-9)

InChI

InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3

InChI Key

PEUGOJXLBSIJQS-UHFFFAOYSA-N

Formula

C12H22O4

SMILES

CCOC(=O)CCCCCCC(=O)OCC

Molecular Weight¹

230.30

CAS

2050-23-9

Other Names

• 1,8-octanedioic acid, diethyl ester
• Ethyl suberate
• Octanedioic acid, diethyl ester
• diethyl 1,8-octanedioate
• diethyl octanedioate
• suberic acid, diethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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.
• I : 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
ω	0.7566		Relay (1.0) Calculated Property
ΔfG°	-570.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-924.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.57	kJ/mol	Joback Calculated Property
ΔvapH°	78.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-2.53		Aq. Solubility Prediction
logPoct/wat	2.453		Crippen Calculated Property
McVol	194.820	ml/mol	McGowan Calculated Property
Pc	1795.46	kPa	Joback Calculated Property
Inp	[1552.00; 1586.00]
Inp	1584.00		NIST
Inp	1586.00		NIST
Inp	1552.00		NIST
Inp	1583.00		NIST
Inp	1553.00		NIST
Inp	1583.00		NIST
Inp	1552.00		NIST
I	[2065.00; 2114.00]
I	2114.00		NIST
I	2065.00		NIST
Tboil	555.80	K	NIST
Tc	723.00	K	Vapor-liquid critical temperatures and pressures of dicarboxylic acid diethyl esters
Tfus	279.05	K	Aq. Solubility Prediction
Vc	0.761	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.80; 583.63]	J/mol×K	[590.60; 763.05]
Cp,gas	503.80	J/mol×K	590.60	Joback Calculated Property
Cp,gas	518.78	J/mol×K	619.34	Joback Calculated Property
Cp,gas	533.09	J/mol×K	648.08	Joback Calculated Property
Cp,gas	546.72	J/mol×K	676.83	Joback Calculated Property
Cp,gas	559.69	J/mol×K	705.57	Joback Calculated Property
Cp,gas	571.99	J/mol×K	734.31	Joback Calculated Property
Cp,gas	583.63	J/mol×K	763.05	Joback Calculated Property
η	[0.0001277; 0.0038638]	Pa×s	[309.66; 590.60]
η	0.0038638	Pa×s	309.66	Joback Calculated Property
η	0.0015070	Pa×s	356.48	Joback Calculated Property
η	0.0007314	Pa×s	403.31	Joback Calculated Property
η	0.0004126	Pa×s	450.13	Joback Calculated Property
η	0.0002592	Pa×s	496.95	Joback Calculated Property
η	0.0001765	Pa×s	543.78	Joback Calculated Property
η	0.0001277	Pa×s	590.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethyl suberate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Vapor-liquid critical temperatures and pressures of dicarboxylic acid diethyl esters
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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