Chemical Properties of 1,3-Butadien-1-ol, acetate

InChI

InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+

InChI Key

NMQQBXHZBNUXGJ-SNAWJCMRSA-N

Formula

C6H8O2

SMILES

C=C/C=C/OC(C)=O

Molecular Weight¹

112.13

Other Names

• 1-Acetoxy-1,3-butadiene
• Butadienyl acetate
• 1-Acetoxybutadiene
• 1,3-Butadienyl acetate
• Acetic acid, 1,3-butadienyl ester
• 1,3-Butadienylester kyseliny octove

• 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).
• 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, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.29; 277.89]	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			5.67000e+00
Coefficient B			5.19020e-01
Coefficient C			-3.14700e-04
Coefficient D			6.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.29	J/mol×K	273.00	Calculated Property
Cp,gas	152.91	J/mol×K	353.78	Calculated Property
Cp,gas	177.36	J/mol×K	434.56	Calculated Property
Cp,gas	198.86	J/mol×K	515.33	Calculated Property
Cp,gas	217.62	J/mol×K	596.11	Calculated Property
Cp,gas	233.86	J/mol×K	676.89	Calculated Property
Cp,gas	247.79	J/mol×K	757.67	Calculated Property
Cp,gas	259.63	J/mol×K	838.44	Calculated Property
Cp,gas	269.59	J/mol×K	919.22	Calculated Property
Cp,gas	277.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018393; 0.0001939]	Pa×s	[229.10; 407.77]	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			-1.14324e+01
Coefficient B			1.17620e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			229.10
Temperature range, max.			407.77
η	0.0018393	Pa×s	229.10	Calculated Property
η	0.0012214	Pa×s	248.95	Calculated Property
η	0.0008616	Pa×s	268.81	Calculated Property
η	0.0006377	Pa×s	288.66	Calculated Property
η	0.0004906	Pa×s	308.51	Calculated Property
η	0.0003896	Pa×s	328.36	Calculated Property
η	0.0003176	Pa×s	348.22	Calculated Property
η	0.0002647	Pa×s	368.07	Calculated Property
η	0.0002248	Pa×s	387.92	Calculated Property
η	0.0001939	Pa×s	407.77	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Butadien-1-ol, acetate.

Sources

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

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