Chemical Properties of tert-Butyl acrylate (CAS 1663-39-4)

InChI

InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3

InChI Key

ISXSCDLOGDJUNJ-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

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

Molecular Weight¹

128.17

CAS

1663-39-4

Other Names

• 1,1-dimethylethyl 2-propenoate
• 2-Propenoic acid, 1,1-dimethylethyl ester
• Acrylic acid, tert-butyl ester
• t-butyl acrylate
• tert-butyl 2-propenoate

• 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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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

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
ρl	[861.82; 884.13]	kg/m3	[293.15; 318.15]
ρl	884.13	kg/m3	293.15	Densities and volumetric properties of (acetonitrile + alkyl acrylate monomer) binary mixtures at temperatures from 293.15 K to 318.15 K
ρl	884.13	kg/m3	293.15	Temperature and concentration dependence of volumetric properties of (tetrahydrofuran + methyl acrylate, or + ethyl acrylate, or + n-butyl acrylate, or + tert-butyl acrylate) binary mixtures
ρl	879.66	kg/m3	298.15	Densities and volumetric properties of (acetonitrile + alkyl acrylate monomer) binary mixtures at temperatures from 293.15 K to 318.15 K
ρl	879.66	kg/m3	298.15	Temperature and concentration dependence of volumetric properties of (tetrahydrofuran + methyl acrylate, or + ethyl acrylate, or + n-butyl acrylate, or + tert-butyl acrylate) binary mixtures
ρl	875.20	kg/m3	303.15	Densities and volumetric properties of (acetonitrile + alkyl acrylate monomer) binary mixtures at temperatures from 293.15 K to 318.15 K
ρl	875.20	kg/m3	303.15	Temperature and concentration dependence of volumetric properties of (tetrahydrofuran + methyl acrylate, or + ethyl acrylate, or + n-butyl acrylate, or + tert-butyl acrylate) binary mixtures
ρl	870.74	kg/m3	308.15	Densities and volumetric properties of (acetonitrile + alkyl acrylate monomer) binary mixtures at temperatures from 293.15 K to 318.15 K
ρl	870.74	kg/m3	308.15	Temperature and concentration dependence of volumetric properties of (tetrahydrofuran + methyl acrylate, or + ethyl acrylate, or + n-butyl acrylate, or + tert-butyl acrylate) binary mixtures
ρl	866.28	kg/m3	313.15	Densities and volumetric properties of (acetonitrile + alkyl acrylate monomer) binary mixtures at temperatures from 293.15 K to 318.15 K
ρl	866.28	kg/m3	313.15	Temperature and concentration dependence of volumetric properties of (tetrahydrofuran + methyl acrylate, or + ethyl acrylate, or + n-butyl acrylate, or + tert-butyl acrylate) binary mixtures
ρl	861.82	kg/m3	318.15	Densities and volumetric properties of (acetonitrile + alkyl acrylate monomer) binary mixtures at temperatures from 293.15 K to 318.15 K
ρl	861.82	kg/m3	318.15	Temperature and concentration dependence of volumetric properties of (tetrahydrofuran + methyl acrylate, or + ethyl acrylate, or + n-butyl acrylate, or + tert-butyl acrylate) binary mixtures

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.05; 361.53]	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			-5.53000e+00
Coefficient B			7.19860e-01
Coefficient C			-4.57100e-04
Coefficient D			1.04300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.05	J/mol×K	273.00	Calculated Property
Cp,gas	196.55	J/mol×K	353.78	Calculated Property
Cp,gas	229.53	J/mol×K	434.56	Calculated Property
Cp,gas	258.32	J/mol×K	515.33	Calculated Property
Cp,gas	283.25	J/mol×K	596.11	Calculated Property
Cp,gas	304.65	J/mol×K	676.89	Calculated Property
Cp,gas	322.85	J/mol×K	757.67	Calculated Property
Cp,gas	338.17	J/mol×K	838.44	Calculated Property
Cp,gas	350.96	J/mol×K	919.22	Calculated Property
Cp,gas	361.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0119345; 0.0002514]	Pa×s	[204.15; 419.62]	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			-1.19456e+01
Coefficient B			1.53466e+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.			204.15
Temperature range, max.			419.62
η	0.0119345	Pa×s	204.15	Calculated Property
η	0.0054217	Pa×s	228.09	Calculated Property
η	0.0028613	Pa×s	252.03	Calculated Property
η	0.0016871	Pa×s	275.97	Calculated Property
η	0.0010823	Pa×s	299.91	Calculated Property
η	0.0007415	Pa×s	323.85	Calculated Property
η	0.0005351	Pa×s	347.80	Calculated Property
η	0.0004027	Pa×s	371.74	Calculated Property
η	0.0003137	Pa×s	395.68	Calculated Property
η	0.0002514	Pa×s	419.62	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[338.15; 438.86]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.89075e+01
Coefficient B			-5.07474e+03
Coefficient C			-6.56080e+01
Temperature range, min.			338.15
Temperature range, max.			438.86
Pvap	1.33	kPa	338.15	Calculated Property
Pvap	2.78	kPa	349.34	Calculated Property
Pvap	5.48	kPa	360.53	Calculated Property
Pvap	10.27	kPa	371.72	Calculated Property
Pvap	18.43	kPa	382.91	Calculated Property
Pvap	31.78	kPa	394.10	Calculated Property
Pvap	52.87	kPa	405.29	Calculated Property
Pvap	85.14	kPa	416.48	Calculated Property
Pvap	133.13	kPa	427.67	Calculated Property
Pvap	202.65	kPa	438.86	Calculated Property

Similar Compounds

Find more compounds similar to tert-Butyl acrylate.

Mixtures

• tert-Butyl acrylate + Tetrahydrofuran
• tert-Butyl acrylate + Acetonitrile

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Densities and volumetric properties of (acetonitrile + alkyl acrylate monomer) binary mixtures at temperatures from 293.15 K to 318.15 K
• Temperature and concentration dependence of volumetric properties of (tetrahydrofuran + methyl acrylate, or + ethyl acrylate, or + n-butyl acrylate, or + tert-butyl acrylate) binary mixtures
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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