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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-437.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.63	kJ/mol	Joback Calculated Property
ΔvapH°	50.10	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.26		Relay (1.0) Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2433.84	kPa	Joback Calculated Property
Inp	[1016.00; 1050.00]
Inp	1016.00		NIST
Inp	1050.00		NIST
Tboil	442.31	K	Relay (1.0) Calculated Property
Tc	638.51	K	Relay (1.0) Calculated Property
Tfus	188.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.62; 463.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.54430e+01
Coefficient B			7.89940e-01
Coefficient C			-3.97300e-04
Coefficient D			5.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.62	J/mol×K	273.00	Calculated Property
Cp,gas	247.65	J/mol×K	353.78	Calculated Property
Cp,gas	288.26	J/mol×K	434.56	Calculated Property
Cp,gas	324.64	J/mol×K	515.33	Calculated Property
Cp,gas	356.95	J/mol×K	596.11	Calculated Property
Cp,gas	385.38	J/mol×K	676.89	Calculated Property
Cp,gas	410.11	J/mol×K	757.67	Calculated Property
Cp,gas	431.30	J/mol×K	838.44	Calculated Property
Cp,gas	449.13	J/mol×K	919.22	Calculated Property
Cp,gas	463.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088076; 0.0002389]	Pa×s	[216.76; 446.34]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.17457e+01
Coefficient B			1.52026e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			216.76
Temperature range, max.			446.34
η	0.0088076	Pa×s	216.76	Calculated Property
η	0.0042086	Pa×s	242.27	Calculated Property
η	0.0023149	Pa×s	267.78	Calculated Property
η	0.0014128	Pa×s	293.29	Calculated Property
η	0.0009331	Pa×s	318.80	Calculated Property
η	0.0006554	Pa×s	344.31	Calculated Property
η	0.0004833	Pa×s	369.82	Calculated Property
η	0.0003707	Pa×s	395.32	Calculated Property
η	0.0002936	Pa×s	420.83	Calculated Property
η	0.0002389	Pa×s	446.34	Calculated Property

Similar Compounds

Find more compounds similar to Isopentyl 3-butenoate.

Sources

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

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