Chemical Properties of 2-Vinylethyl acetate (CAS 1576-84-7)

InChI

InChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h3H,1,4-5H2,2H3

InChI Key

IEKXSSZASGLISC-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

C=CCCOC(C)=O

Molecular Weight¹

114.14

CAS

1576-84-7

Other Names

• 3-Buten-1-ol acetate
• 3-Butenyl acetate
• CH3C(O)O(CH2)2CH=CH2

• ω : Acentric Factor.
• 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).
• 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.
• I : 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	0.3726		Relay (1.0) Calculated Property
ΔfG°	-222.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-363.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.38	kJ/mol	Joback Calculated Property
ΔvapH°	44.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-0.94		Relay (1.0) Calculated Property
logPoct/wat	1.126		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3276.53	kPa	Joback Calculated Property
Inp	[751.00; 796.70]
Inp	751.00		NIST
Inp	796.70		NIST
Inp	751.00		NIST
Inp	751.00		NIST
Inp	796.70		NIST
I	[1103.00; 1103.00]
I	1103.00		NIST
I	1103.00		NIST
Tboil	395.71	K	Relay (1.0) Calculated Property
Tc	584.91	K	Relay (1.0) Calculated Property
Tfus	185.37	K	Relay (1.0) Calculated Property
Vc	0.362	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.29; 308.47]	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			1.98520e+01
Coefficient B			4.99020e-01
Coefficient C			-2.30900e-04
Coefficient D			2.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.29	J/mol×K	273.00	Calculated Property
Cp,gas	168.40	J/mol×K	353.78	Calculated Property
Cp,gas	194.78	J/mol×K	434.56	Calculated Property
Cp,gas	218.50	J/mol×K	515.33	Calculated Property
Cp,gas	239.62	J/mol×K	596.11	Calculated Property
Cp,gas	258.20	J/mol×K	676.89	Calculated Property
Cp,gas	274.31	J/mol×K	757.67	Calculated Property
Cp,gas	288.02	J/mol×K	838.44	Calculated Property
Cp,gas	299.38	J/mol×K	919.22	Calculated Property
Cp,gas	308.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051611; 0.0002445]	Pa×s	[197.95; 398.37]	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			-1.13285e+01
Coefficient B			1.19996e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			197.95
Temperature range, max.			398.37
η	0.0051611	Pa×s	197.95	Calculated Property
η	0.0027959	Pa×s	220.22	Calculated Property
η	0.0016952	Pa×s	242.49	Calculated Property
η	0.0011180	Pa×s	264.76	Calculated Property
η	0.0007866	Pa×s	287.02	Calculated Property
η	0.0005821	Pa×s	309.29	Calculated Property
η	0.0004486	Pa×s	331.56	Calculated Property
η	0.0003572	Pa×s	353.83	Calculated Property
η	0.0002922	Pa×s	376.10	Calculated Property
η	0.0002445	Pa×s	398.37	Calculated Property

Similar Compounds

Find more compounds similar to 2-Vinylethyl acetate.

Sources

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

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