Chemical Properties of Isopentyl 3-butenoate

InChI

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

InChI Key

ZOLACEAETZCXMH-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

C=CCC(=O)OCCC(C)C

Molecular Weight¹

156.22

Other Names

• 3-Butenoic acid, 3-methylbutyl ester

• 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).
• 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°	-123.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-353.74	kJ/mol	Joback Calculated Property
ΔfusH°	17.05	kJ/mol	Joback Calculated Property
ΔvapH°	43.73	kJ/mol	Joback Calculated Property
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2535.37	kPa	Joback Calculated Property
Inp	[1016.00; 1050.00]
Inp	1016.00		NIST
Inp	1050.00		NIST
Tboil	477.85	K	Joback Calculated Property
Tc	658.67	K	Joback Calculated Property
Tfus	246.59	K	Joback Calculated Property
Vc	0.538	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.61; 376.08]	J/mol×K	[477.85; 658.67]
Cp,gas	305.61	J/mol×K	477.85	Joback Calculated Property
Cp,gas	318.63	J/mol×K	507.99	Joback Calculated Property
Cp,gas	331.13	J/mol×K	538.12	Joback Calculated Property
Cp,gas	343.12	J/mol×K	568.26	Joback Calculated Property
Cp,gas	354.60	J/mol×K	598.39	Joback Calculated Property
Cp,gas	365.59	J/mol×K	628.53	Joback Calculated Property
Cp,gas	376.08	J/mol×K	658.67	Joback Calculated Property
η	[0.0002296; 0.0043503]	Pa×s	[246.59; 477.85]
η	0.0043503	Pa×s	246.59	Joback Calculated Property
η	0.0019129	Pa×s	285.13	Joback Calculated Property
η	0.0010229	Pa×s	323.68	Joback Calculated Property
η	0.0006250	Pa×s	362.22	Joback Calculated Property
η	0.0004198	Pa×s	400.76	Joback Calculated Property
η	0.0003024	Pa×s	439.31	Joback Calculated Property
η	0.0002296	Pa×s	477.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopentyl 3-butenoate.

Sources

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

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