Chemical Properties of Isopentyl 2-butenoate

InChI

InChI=1S/C9H16O2/c1-4-5-9(10)11-7-6-8(2)3/h4-5,8H,6-7H2,1-3H3

InChI Key

JAVOYFHBJFLMRQ-SNAWJCMRSA-N

Formula

C9H16O2

SMILES

C/C=C/C(=O)OCCC(C)C

Molecular Weight¹

156.23

Other Names

• 2-Butenoic acid, 3-methyl, butyl ester
• Isopentyl 2-butenoate
• (E)-2-Butenoic acid 3-methylbutyl 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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5327.50 ± 2.90	kJ/mol	NIST
ΔfH°gas	-447.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-501.00 ± 3.00	kJ/mol	NIST
ΔfusH°	18.53	kJ/mol	Joback Calculated Property
ΔvapH°	[54.00; 54.00]	kJ/mol
ΔvapH°	54.00 ± 1.00	kJ/mol	NIST
ΔvapH°	54.00	kJ/mol	NIST
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-3.10		Relay (1.0) Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2561.10	kPa	Joback Calculated Property
Inp	[1074.00; 1088.00]
Inp	1088.00		NIST
Inp	1088.00		NIST
Inp	1074.00		NIST
Inp	1082.00		NIST
Inp	1082.00		NIST
Tboil	450.59	K	Relay (1.0) Calculated Property
Tc	646.24	K	Relay (1.0) Calculated Property
Tfus	205.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.21; 377.46]	J/mol×K	[485.33; 670.77]
Cp,gas	306.21	J/mol×K	485.33	Joback Calculated Property
Cp,gas	319.47	J/mol×K	516.24	Joback Calculated Property
Cp,gas	332.17	J/mol×K	547.14	Joback Calculated Property
Cp,gas	344.30	J/mol×K	578.05	Joback Calculated Property
Cp,gas	355.88	J/mol×K	608.96	Joback Calculated Property
Cp,gas	366.93	J/mol×K	639.87	Joback Calculated Property
Cp,gas	377.46	J/mol×K	670.77	Joback Calculated Property
η	[0.0001906; 0.0044834]	Pa×s	[243.27; 485.33]
η	0.0044834	Pa×s	243.27	Joback Calculated Property
η	0.0018217	Pa×s	283.61	Joback Calculated Property
η	0.0009263	Pa×s	323.96	Joback Calculated Property
η	0.0005471	Pa×s	364.30	Joback Calculated Property
η	0.0003589	Pa×s	404.64	Joback Calculated Property
η	0.0002542	Pa×s	444.99	Joback Calculated Property
η	0.0001906	Pa×s	485.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopentyl 2-butenoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.