Chemical Properties of Butanoic acid, 4-ethoxy-, methyl ester (CAS 29006-04-0)

InChI

InChI=1S/C7H14O3/c1-3-10-6-4-5-7(8)9-2/h3-6H2,1-2H3

InChI Key

RVOAHFHZGYQSND-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

CCOCCCC(=O)OC

Molecular Weight¹

146.18

CAS

29006-04-0

Other Names

• Butyric acid, 4-ethoxy-, methyl ester
• Methyl 4-ethoxybutanoate

• 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	0.5272		Relay (1.0) Calculated Property
ΔfH°gas	-623.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.44	kJ/mol	Joback Calculated Property
ΔvapH°	55.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-0.31		Relay (1.0) Calculated Property
logPoct/wat	0.976		Crippen Calculated Property
McVol	122.800	ml/mol	McGowan Calculated Property
Pc	2764.26	kPa	Joback Calculated Property
Inp	[909.00; 909.00]
Inp	909.00		NIST
Inp	909.00		NIST
Tboil	444.75	K	Relay (1.0) Calculated Property
Tc	624.06	K	Relay (1.0) Calculated Property
Tfus	210.97	K	Relay (1.0) Calculated Property
Vc	0.464	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	[257.26; 319.07]	J/mol×K	[440.40; 613.08]
Cp,gas	257.26	J/mol×K	440.40	Joback Calculated Property
Cp,gas	268.44	J/mol×K	469.18	Joback Calculated Property
Cp,gas	279.27	J/mol×K	497.96	Joback Calculated Property
Cp,gas	289.76	J/mol×K	526.74	Joback Calculated Property
Cp,gas	299.89	J/mol×K	555.52	Joback Calculated Property
Cp,gas	309.66	J/mol×K	584.30	Joback Calculated Property
Cp,gas	319.07	J/mol×K	613.08	Joback Calculated Property
η	[0.0002162; 0.0042919]	Pa×s	[233.21; 440.40]
η	0.0042919	Pa×s	233.21	Joback Calculated Property
η	0.0018917	Pa×s	267.74	Joback Calculated Property
η	0.0010054	Pa×s	302.27	Joback Calculated Property
η	0.0006083	Pa×s	336.80	Joback Calculated Property
η	0.0004041	Pa×s	371.34	Joback Calculated Property
η	0.0002878	Pa×s	405.87	Joback Calculated Property
η	0.0002162	Pa×s	440.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 4-ethoxy-, methyl ester.

Sources

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

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