Chemical Properties of 2-[2-(2-Isopentoxyethoxy)ethoxy]ethyl acetate

InChI

InChI=1S/C13H26O5/c1-12(2)4-5-15-6-7-16-8-9-17-10-11-18-13(3)14/h12H,4-11H2,1-3H3

InChI Key

NEJMUHOSTHFGMW-UHFFFAOYSA-N

Formula

C13H26O5

SMILES

CC(=O)OCCOCCOCCOCCC(C)C

Molecular Weight¹

262.35

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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	0.7968		Relay (1.0) Calculated Property
ΔfH°gas	-1015.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.84	kJ/mol	Joback Calculated Property
ΔvapH°	82.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-1.57		Relay (1.0) Calculated Property
logPoct/wat	1.645		Crippen Calculated Property
McVol	219.080	ml/mol	McGowan Calculated Property
Pc	1594.89	kPa	Joback Calculated Property
Inp	[1746.70; 1746.70]
Inp	1746.70		NIST
Inp	1746.70		NIST
Tboil	569.03	K	Relay (1.0) Calculated Property
Tc	729.92	K	Relay (1.0) Calculated Property
Tfus	221.32	K	Relay (1.0) Calculated Property
Vc	0.830	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[594.48; 681.66]	J/mol×K	[622.08; 790.95]
Cp,gas	594.48	J/mol×K	622.08	Joback Calculated Property
Cp,gas	610.67	J/mol×K	650.23	Joback Calculated Property
Cp,gas	626.22	J/mol×K	678.37	Joback Calculated Property
Cp,gas	641.10	J/mol×K	706.52	Joback Calculated Property
Cp,gas	655.31	J/mol×K	734.66	Joback Calculated Property
Cp,gas	668.83	J/mol×K	762.81	Joback Calculated Property
Cp,gas	681.66	J/mol×K	790.95	Joback Calculated Property
η	[0.0000694; 0.0018941]	Pa×s	[330.29; 622.08]
η	0.0018941	Pa×s	330.29	Joback Calculated Property
η	0.0007665	Pa×s	378.92	Joback Calculated Property
η	0.0003810	Pa×s	427.55	Joback Calculated Property
η	0.0002185	Pa×s	476.18	Joback Calculated Property
η	0.0001389	Pa×s	524.82	Joback Calculated Property
η	0.0000953	Pa×s	573.45	Joback Calculated Property
η	0.0000694	Pa×s	622.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-[2-(2-Isopentoxyethoxy)ethoxy]ethyl acetate.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.