Chemical Properties of Butanoic acid, 2-ethyl-, methyl ester (CAS 816-11-5)

InChI

InChI=1S/C7H14O2/c1-4-6(5-2)7(8)9-3/h6H,4-5H2,1-3H3

InChI Key

UNEAEGWIVFZPFI-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CCC(CC)C(=O)OC

Molecular Weight¹

130.18

CAS

816-11-5

Other Names

• 2-Ethylbutyric acid, methyl ester
• Butyric acid, 2-ethyl-, methyl ester
• Methyl 2-ethylbutanoate
• Methyl 2-ethylbutyrate

• 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).
• 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).
• P_vap : Vapor 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°	-228.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-437.89	kJ/mol	Joback Calculated Property
ΔfusH°	13.15	kJ/mol	Joback Calculated Property
ΔvapH°	39.94	kJ/mol	Joback Calculated Property
log10WS	-1.37		Crippen Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	116.930	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[845.00; 845.00]
Inp	845.00		NIST
Inp	845.00		NIST
Inp	845.00		NIST
Inp	845.00		NIST
Tboil	435.41	K	Joback Calculated Property
Tc	615.76	K	Joback Calculated Property
Tfus	225.81	K	Joback Calculated Property
Vc	0.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.73; 301.45]	J/mol×K	[435.41; 615.76]
Cp,gas	238.73	J/mol×K	435.41	Joback Calculated Property
Cp,gas	250.17	J/mol×K	465.47	Joback Calculated Property
Cp,gas	261.22	J/mol×K	495.53	Joback Calculated Property
Cp,gas	271.87	J/mol×K	525.58	Joback Calculated Property
Cp,gas	282.12	J/mol×K	555.64	Joback Calculated Property
Cp,gas	291.98	J/mol×K	585.70	Joback Calculated Property
Cp,gas	301.45	J/mol×K	615.76	Joback Calculated Property
η	[0.0002542; 0.0047724]	Pa×s	[225.81; 435.41]
η	0.0047724	Pa×s	225.81	Joback Calculated Property
η	0.0021099	Pa×s	260.74	Joback Calculated Property
η	0.0011312	Pa×s	295.68	Joback Calculated Property
η	0.0006919	Pa×s	330.61	Joback Calculated Property
η	0.0004649	Pa×s	365.54	Joback Calculated Property
η	0.0003348	Pa×s	400.48	Joback Calculated Property
η	0.0002542	Pa×s	435.41	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[304.32; 441.24]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44632e+01
Coefficient B			-3.53578e+03
Coefficient C			-5.48940e+01
Temperature range, min.			304.32
Temperature range, max.			441.24
Pvap	1.33	kPa	304.32	Calculated Property
Pvap	3.01	kPa	319.53	Calculated Property
Pvap	6.23	kPa	334.75	Calculated Property
Pvap	11.94	kPa	349.96	Calculated Property
Pvap	21.49	kPa	365.17	Calculated Property
Pvap	36.61	kPa	380.39	Calculated Property
Pvap	59.47	kPa	395.60	Calculated Property
Pvap	92.67	kPa	410.81	Calculated Property
Pvap	139.25	kPa	426.03	Calculated Property
Pvap	202.63	kPa	441.24	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-ethyl-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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