Chemical Properties of Pentyl 3-butenoate

InChI

InChI=1S/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h4H,2-3,5-8H2,1H3

InChI Key

BUSVERZYRXOWCB-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

C=CCC(=O)OCCCCC

Molecular Weight¹

156.22

Other Names

• 3-Butenoic acid, pentyl ester

• ω : Acentric Factor.
• 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_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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5120		Relay (1.0) Calculated Property
ΔfH°gas	-424.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.15	kJ/mol	Joback Calculated Property
ΔvapH°	51.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-2.47		Relay (1.0) Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2414.74	kPa	Joback Calculated Property
Inp	[1049.00; 1065.00]
Inp	1049.00		NIST
Inp	1065.00		NIST
Inp	1049.00		NIST
Tboil	448.33	K	Relay (1.0) Calculated Property
Tc	648.43	K	Relay (1.0) Calculated Property
Tfus	200.41	K	Relay (1.0) Calculated Property
Vc	0.517	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.04; 370.22]	J/mol×K	[460.42; 634.32]
Cp,gas	300.04	J/mol×K	460.42	Joback Calculated Property
Cp,gas	313.02	J/mol×K	489.40	Joback Calculated Property
Cp,gas	325.48	J/mol×K	518.39	Joback Calculated Property
Cp,gas	337.41	J/mol×K	547.37	Joback Calculated Property
Cp,gas	348.84	J/mol×K	576.36	Joback Calculated Property
Cp,gas	359.78	J/mol×K	605.34	Joback Calculated Property
Cp,gas	370.22	J/mol×K	634.32	Joback Calculated Property
η	[0.0002267; 0.0054330]	Pa×s	[231.76; 460.42]
η	0.0054330	Pa×s	231.76	Joback Calculated Property
η	0.0022017	Pa×s	269.87	Joback Calculated Property
η	0.0011157	Pa×s	307.98	Joback Calculated Property
η	0.0006567	Pa×s	346.09	Joback Calculated Property
η	0.0004294	Pa×s	384.20	Joback Calculated Property
η	0.0003031	Pa×s	422.31	Joback Calculated Property
η	0.0002267	Pa×s	460.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentyl 3-butenoate.

Sources

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

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