Chemical Properties of 1-METHYLALLYL ACETATE

InChI

InChI=1S/C6H10O2/c1-4-5(2)8-6(3)7/h4-5H,1H2,2-3H3

InChI Key

LYWCPTCPTWCZSZ-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

C=CC(C)OC(C)=O

Molecular Weight¹

114.14

Other Names

• 1-Methyl-2-propenyl acetate
• 3-Buten-2-ol, acetate
• Acetic acid 1-buten-3-yl 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	0.3340		Relay (1.0) Calculated Property
ΔfH°gas	-399.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.86	kJ/mol	Joback Calculated Property
ΔvapH°	44.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-0.86		Relay (1.0) Calculated Property
logPoct/wat	1.124		Crippen Calculated Property
McVol	98.540	ml/mol	McGowan Calculated Property
Pc	3306.75	kPa	Joback Calculated Property
Inp	[760.90; 760.90]
Inp	760.90		NIST
Inp	760.90		NIST
Tboil	[385.00; 385.70]	K
Tboil	385.00	K	NIST
Tboil	385.70 ± 2.00	K	NIST
Tc	548.99	K	Relay (1.0) Calculated Property
Tfus	195.21	K	Relay (1.0) Calculated Property
Vc	0.364	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	[181.12; 234.36]	J/mol×K	[391.34; 572.85]
Cp,gas	181.12	J/mol×K	391.34	Joback Calculated Property
Cp,gas	190.94	J/mol×K	421.59	Joback Calculated Property
Cp,gas	200.37	J/mol×K	451.84	Joback Calculated Property
Cp,gas	209.43	J/mol×K	482.10	Joback Calculated Property
Cp,gas	218.11	J/mol×K	512.35	Joback Calculated Property
Cp,gas	226.42	J/mol×K	542.60	Joback Calculated Property
Cp,gas	234.36	J/mol×K	572.85	Joback Calculated Property
η	[0.0002486; 0.0091238]	Pa×s	[182.95; 391.34]
η	0.0091238	Pa×s	182.95	Joback Calculated Property
η	0.0031000	Pa×s	217.68	Joback Calculated Property
η	0.0014176	Pa×s	252.41	Joback Calculated Property
η	0.0007834	Pa×s	287.14	Joback Calculated Property
η	0.0004920	Pa×s	321.88	Joback Calculated Property
η	0.0003383	Pa×s	356.61	Joback Calculated Property
η	0.0002486	Pa×s	391.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-METHYLALLYL ACETATE.

Sources

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

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