Chemical Properties of 2-Propenoic acid, 2-propenyl ester (CAS 999-55-3)

InChI

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

InChI Key

QTECDUFMBMSHKR-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

C=CCOC(=O)C=C

Molecular Weight¹

112.13

CAS

999-55-3

Other Names

• Acrylic acid, allyl ester
• Allyl acrylate
• 2-Propenyl ester of 2-propenoic acid

• 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	0.4063		Relay (1.0) Calculated Property
ΔfH°gas	-243.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.10	kJ/mol	Joback Calculated Property
ΔvapH°	43.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.94	eV	Relay (1.0) Calculated Property
log10WS	-1.03		Relay (1.0) Calculated Property
logPoct/wat	0.902		Crippen Calculated Property
McVol	94.240	ml/mol	McGowan Calculated Property
Pc	3439.94	kPa	Joback Calculated Property
Inp	[734.00; 742.00]
Inp	734.00		NIST
Inp	742.00		NIST
Inp	734.00		NIST
Tboil	388.93	K	Relay (1.0) Calculated Property
Tc	599.64	K	Relay (1.0) Calculated Property
Tfus	194.18	K	Relay (1.0) Calculated Property
Vc	0.336	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	[166.86; 214.35]	J/mol×K	[388.46; 569.55]
Cp,gas	166.86	J/mol×K	388.46	Joback Calculated Property
Cp,gas	175.69	J/mol×K	418.64	Joback Calculated Property
Cp,gas	184.15	J/mol×K	448.82	Joback Calculated Property
Cp,gas	192.24	J/mol×K	479.01	Joback Calculated Property
Cp,gas	199.96	J/mol×K	509.19	Joback Calculated Property
Cp,gas	207.33	J/mol×K	539.37	Joback Calculated Property
Cp,gas	214.35	J/mol×K	569.55	Joback Calculated Property
η	[0.0002515; 0.0044043]	Pa×s	[196.19; 388.46]
η	0.0044043	Pa×s	196.19	Joback Calculated Property
η	0.0019551	Pa×s	228.23	Joback Calculated Property
η	0.0010601	Pa×s	260.28	Joback Calculated Property
η	0.0006573	Pa×s	292.32	Joback Calculated Property
η	0.0004479	Pa×s	324.37	Joback Calculated Property
η	0.0003270	Pa×s	356.41	Joback Calculated Property
η	0.0002515	Pa×s	388.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 2-propenyl ester.

Sources

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

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