Chemical Properties of 2,4-Pentanedione, 3-(2-propenyl)- (CAS 3508-78-9)

InChI

InChI=1S/C8H12O2/c1-4-5-8(6(2)9)7(3)10/h4,8H,1,5H2,2-3H3

InChI Key

QBQVCCUJHAORJO-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

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

Molecular Weight¹

140.18

CAS

3508-78-9

Other Names

• 2,4-Pentanedione, 3-allyl-
• 2-Allyl-1-mehtylbutandione-1,3
• 3-Allyl-2,4-pentanedione
• 3-Allylacetylacetone

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.92; 382.12]	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			5.66100e+00
Coefficient B			6.93740e-01
Coefficient C			-4.00100e-04
Coefficient D			8.28200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.92	J/mol×K	273.00	Calculated Property
Cp,gas	204.68	J/mol×K	353.78	Calculated Property
Cp,gas	238.37	J/mol×K	434.56	Calculated Property
Cp,gas	268.25	J/mol×K	515.33	Calculated Property
Cp,gas	294.58	J/mol×K	596.11	Calculated Property
Cp,gas	317.61	J/mol×K	676.89	Calculated Property
Cp,gas	337.63	J/mol×K	757.67	Calculated Property
Cp,gas	354.87	J/mol×K	838.44	Calculated Property
Cp,gas	369.62	J/mol×K	919.22	Calculated Property
Cp,gas	382.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046183; 0.0003421]	Pa×s	[263.02; 476.30]	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			-1.11901e+01
Coefficient B			1.52876e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			263.02
Temperature range, max.			476.30
η	0.0046183	Pa×s	263.02	Calculated Property
η	0.0028566	Pa×s	286.72	Calculated Property
η	0.0019014	Pa×s	310.41	Calculated Property
η	0.0013408	Pa×s	334.11	Calculated Property
η	0.0009903	Pa×s	357.81	Calculated Property
η	0.0007595	Pa×s	381.51	Calculated Property
η	0.0006008	Pa×s	405.20	Calculated Property
η	0.0004878	Pa×s	428.90	Calculated Property
η	0.0004047	Pa×s	452.60	Calculated Property
η	0.0003421	Pa×s	476.30	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Pentanedione, 3-(2-propenyl)-.

Sources

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

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