Chemical Properties of Butanoic acid, 3-(1-ethoxyethoxy)-2-methyl-, ethyl ester (CAS 86845-49-0)

InChI

InChI=1S/C11H22O4/c1-6-13-10(5)15-9(4)8(3)11(12)14-7-2/h8-10H,6-7H2,1-5H3

InChI Key

PFNDFRMGKYXRMM-UHFFFAOYSA-N

Formula

C11H22O4

SMILES

CCOC(=O)C(C)C(C)OC(C)OCC

Molecular Weight¹

218.29

CAS

86845-49-0

Other Names

• Ethyl 3-(1-ethoxyethoxy)-2-methylbutanoate

• 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 : 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	0.5551		Relay (... Calculated Property
ΔfG°	-409.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-895.83	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.84	kJ/mol	Joback Calculated Property
ΔvapH°	62.32	kJ/mol	Relay (... Calculated Property
IE	9.65	eV	Relay (... Calculated Property
log10WS	-0.89		Relay (... Calculated Property
logPoct/wat	1.973		Crippen Calculated Property
McVol	185.030	ml/mol	McGowan Calculated Property
Pc	1996.55	kPa	Joback Calculated Property
I	[2564.00; 2564.00]
I	2564.00		NIST
I	2564.00		NIST
Tboil	469.14	K	Relay (... Calculated Property
Tc	644.77	K	Relay (... Calculated Property
Tfus	215.59	K	Relay (... Calculated Property
Vc	0.686	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[470.33; 554.51]	J/mol×K	[570.89; 750.35]
Cp,gas	470.33	J/mol×K	570.89	Joback Calculated Property
Cp,gas	485.88	J/mol×K	600.80	Joback Calculated Property
Cp,gas	500.83	J/mol×K	630.71	Joback Calculated Property
Cp,gas	515.18	J/mol×K	660.62	Joback Calculated Property
Cp,gas	528.91	J/mol×K	690.53	Joback Calculated Property
Cp,gas	542.03	J/mol×K	720.44	Joback Calculated Property
Cp,gas	554.51	J/mol×K	750.35	Joback Calculated Property
η	[0.0001087; 0.0041094]	Pa×s	[285.35; 570.89]
η	0.0041094	Pa×s	285.35	Joback Calculated Property
η	0.0014554	Pa×s	332.94	Joback Calculated Property
η	0.0006683	Pa×s	380.53	Joback Calculated Property
η	0.0003648	Pa×s	428.12	Joback Calculated Property
η	0.0002248	Pa×s	475.71	Joback Calculated Property
η	0.0001513	Pa×s	523.30	Joback Calculated Property
η	0.0001087	Pa×s	570.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 3-(1-ethoxyethoxy)-2-methyl-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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