Chemical Properties of Butanoic acid, 1-methylpropyl ester (CAS 819-97-6)

InChI

InChI=1S/C8H16O2/c1-4-6-8(9)10-7(3)5-2/h7H,4-6H2,1-3H3

InChI Key

QJHDFBAAFGELLO-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCCC(=O)OC(C)CC

Molecular Weight¹

144.21

CAS

819-97-6

Other Names

• Butyric acid, sec-butyl ester
• sec-Butyl Butyrate
• Butanoic acid, 2-butyl ester

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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
ΔcH°liquid	-4842.10 ± 3.80	kJ/mol	NIST
ΔfG°	-219.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-545.20 ± 4.20	kJ/mol	NIST
ΔfH°liquid	-592.00 ± 4.00	kJ/mol	NIST
ΔfusH°	15.74	kJ/mol	Joback Calculated Property
ΔvapH°	[46.80; 47.00]	kJ/mol
ΔvapH°	47.00 ± 1.00	kJ/mol	NIST
ΔvapH°	46.80	kJ/mol	NIST
log10WS	-2.15		Crippen Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2679.08	kPa	Joback Calculated Property
Inp	[874.00; 953.00]
Inp	915.00		NIST
Inp	906.00		NIST
Inp	943.00		NIST
Inp	930.00		NIST
Inp	923.00		NIST
Inp	919.00		NIST
Inp	925.00		NIST
Inp	877.00		NIST
Inp	874.00		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	915.00		NIST
Inp	919.00		NIST
I	[1127.00; 1200.00]
I	1159.00		NIST
I	Outlier 1200.00		NIST
I	1144.00		NIST
I	1138.00		NIST
I	1127.00		NIST
I	1140.00		NIST
I	1158.00		NIST
I	1159.00		NIST
I	1140.00		NIST
Tboil	424.65 ± 1.00	K	NIST
Tc	637.16	K	Joback Calculated Property
Tfus	237.08	K	Joback Calculated Property
Vc	0.501	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.83; 348.57]	J/mol×K	[458.29; 637.16]
Cp,gas	279.83	J/mol×K	458.29	Joback Calculated Property
Cp,gas	292.41	J/mol×K	488.10	Joback Calculated Property
Cp,gas	304.54	J/mol×K	517.91	Joback Calculated Property
Cp,gas	316.22	J/mol×K	547.72	Joback Calculated Property
Cp,gas	327.44	J/mol×K	577.53	Joback Calculated Property
Cp,gas	338.23	J/mol×K	607.34	Joback Calculated Property
Cp,gas	348.57	J/mol×K	637.16	Joback Calculated Property
η	[0.0002420; 0.0048246]	Pa×s	[237.08; 458.29]
η	0.0048246	Pa×s	237.08	Joback Calculated Property
η	0.0020946	Pa×s	273.95	Joback Calculated Property
η	0.0011084	Pa×s	310.82	Joback Calculated Property
η	0.0006713	Pa×s	347.69	Joback Calculated Property
η	0.0004476	Pa×s	384.55	Joback Calculated Property
η	0.0003204	Pa×s	421.42	Joback Calculated Property
η	0.0002420	Pa×s	458.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 1-methylpropyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.