Chemical Properties of 2-Propenoic acid, 2-methyl-, 1-methylethyl ester (CAS 4655-34-9)

InChI

InChI=1S/C7H12O2/c1-5(2)7(8)9-6(3)4/h6H,1H2,2-4H3

InChI Key

BOQSSGDQNWEFSX-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

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

Molecular Weight¹

128.17

CAS

4655-34-9

Other Names

• 1-methylethyl 2-methyl-2-propenoate
• Acrylic acid, 2-methyl-, isopropyl ester
• Isopropyl 2-methyl-2-propenoate
• Isopropyl methacrylate
• Methacrylic acid isopropyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• P_vap : Vapor 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
ΔfG°	-149.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-322.25	kJ/mol	Joback Calculated Property
ΔfusH°	10.56	kJ/mol	Joback Calculated Property
ΔvapH°	39.35	kJ/mol	Joback Calculated Property
log10WS	-1.58		Crippen Calculated Property
logPoct/wat	1.514		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	3124.49	kPa	Joback Calculated Property
Inp	[806.00; 811.00]
Inp	806.00		NIST
Inp	811.00		NIST
Inp	807.00		NIST
I	[1039.00; 1043.00]
I	1043.00		NIST
I	1039.00		NIST
Tboil	431.97	K	Joback Calculated Property
Tc	619.68	K	Joback Calculated Property
Tfus	210.09	K	Joback Calculated Property
Vc	0.427	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.88; 282.41]	J/mol×K	[431.97; 619.68]
Cp,gas	222.88	J/mol×K	431.97	Joback Calculated Property
Cp,gas	233.85	J/mol×K	463.25	Joback Calculated Property
Cp,gas	244.40	J/mol×K	494.54	Joback Calculated Property
Cp,gas	254.52	J/mol×K	525.82	Joback Calculated Property
Cp,gas	264.23	J/mol×K	557.11	Joback Calculated Property
Cp,gas	273.52	J/mol×K	588.39	Joback Calculated Property
Cp,gas	282.41	J/mol×K	619.68	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[299.22; 452.24]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.34337e+01
Coefficient B			-3.25213e+03
Coefficient C			-5.18360e+01
Temperature range, min.			299.22
Temperature range, max.			452.24
Pvap	1.33	kPa	299.22	Calculated Property
Pvap	3.10	kPa	316.22	Calculated Property
Pvap	6.53	kPa	333.22	Calculated Property
Pvap	12.61	kPa	350.23	Calculated Property
Pvap	22.70	kPa	367.23	Calculated Property
Pvap	38.46	kPa	384.23	Calculated Property
Pvap	61.92	kPa	401.23	Calculated Property
Pvap	95.37	kPa	418.24	Calculated Property
Pvap	141.37	kPa	435.24	Calculated Property
Pvap	202.66	kPa	452.24	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 2-methyl-, 1-methylethyl ester.

Mixtures

• Carbon dioxide + 2-Propenoic acid, 2-methyl-, 1-methylethyl ester

Sources

• Crippen Method
• Crippen Method
• Phase behavior measurement on the binary mixture for isopropyl acrylate and isopropyl methacrylate in supercritical CO2
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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