Chemical Properties of 2-Butenoic acid, butyl ester (CAS 7299-91-4)

InChI

InChI=1S/C8H14O2/c1-3-5-7-10-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3

InChI Key

GWCTUKHUBWMAMI-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CC=CC(=O)OCCCC

Molecular Weight¹

142.20

CAS

7299-91-4

Other Names

• Crotonic acid, butyl ester
• Butyl crotonate
• Butyl 2-butenoate
• (E)-2-Butenoic acid butyl ester
• Crotonic acid n-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	-4681.10 ± 2.90	kJ/mol	NIST
ΔfG°	-137.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-416.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-468.00 ± 3.00	kJ/mol	NIST
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔvapH°	[52.00; 52.00]	kJ/mol
ΔvapH°	52.00 ± 1.00	kJ/mol	NIST
ΔvapH°	52.00	kJ/mol	NIST
log10WS	-1.89		Crippen Calculated Property
logPoct/wat	1.906		Crippen Calculated Property
McVol	126.720	ml/mol	McGowan Calculated Property
Pc	2805.41	kPa	Joback Calculated Property
Inp	[1017.00; 1046.00]
Inp	1017.00		NIST
Inp	1021.00		NIST
Inp	1021.00		NIST
Inp	1021.00		NIST
Inp	1027.00		NIST
Inp	Outlier 1046.00		NIST
Inp	Outlier 1045.00		NIST
Inp	1020.00		NIST
Inp	1024.00		NIST
Inp	1023.00		NIST
Inp	1023.00		NIST
Inp	1017.00		NIST
I	[1332.00; 1334.00]
I	1332.00		NIST
I	1334.00		NIST
Tboil	462.89	K	Joback Calculated Property
Tc	646.21	K	Joback Calculated Property
Tfus	247.00	K	Joback Calculated Property
Vc	0.487	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[263.30; 327.49]	J/mol×K	[462.89; 646.21]
Cp,gas	263.30	J/mol×K	462.89	Joback Calculated Property
Cp,gas	275.19	J/mol×K	493.44	Joback Calculated Property
Cp,gas	286.60	J/mol×K	524.00	Joback Calculated Property
Cp,gas	297.52	J/mol×K	554.55	Joback Calculated Property
Cp,gas	307.96	J/mol×K	585.10	Joback Calculated Property
Cp,gas	317.95	J/mol×K	615.66	Joback Calculated Property
Cp,gas	327.49	J/mol×K	646.21	Joback Calculated Property
η	[0.0002123; 0.0030324]	Pa×s	[247.00; 462.89]
η	0.0030324	Pa×s	247.00	Joback Calculated Property
η	0.0014687	Pa×s	282.98	Joback Calculated Property
η	0.0008378	Pa×s	318.96	Joback Calculated Property
η	0.0005355	Pa×s	354.94	Joback Calculated Property
η	0.0003717	Pa×s	390.93	Joback Calculated Property
η	0.0002744	Pa×s	426.91	Joback Calculated Property
η	0.0002123	Pa×s	462.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, butyl 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.