Chemical Properties of Isopropyl acrylate (CAS 689-12-3)

InChI

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

InChI Key

LYBIZMNPXTXVMV-UHFFFAOYSA-N

Formula

C6H10O2

SMILES

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

Molecular Weight¹

114.14

CAS

689-12-3

Other Names

• 1-methylethyl 2-propenoate
• 2-Propenoic acid,isopropyl ester
• 2-propenoic acid, 1-methylethyl ester
• Isopropyl ester of 2-propenoic acid
• acrylic acid, isopropyl ester
• isopropyl 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).
• 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	0.4097		Relay (1.0) Calculated Property
ΔfH°gas	-388.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.86	kJ/mol	Joback Calculated Property
ΔvapH°	39.77	kJ/mol	Relay (1.0) Calculated Property
IE	10.18	eV	Relay (1.0) Calculated Property
log10WS	-1.20		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	[722.00; 727.00]
Inp	722.00		NIST
Inp	725.00		NIST
Inp	726.00		NIST
Inp	727.00		NIST
Inp	722.00		NIST
I	[994.00; 996.00]
I	996.00		NIST
I	995.00		NIST
I	994.00		NIST
I	996.00		NIST
Tboil	383.00 ± 5.00	K	NIST
Tc	558.49	K	Relay (1.0) Calculated Property
Tfus	203.59	K	Relay (1.0) Calculated Property
Vc	0.373	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.98; 309.01]	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			1.81700e+01
Coefficient B			5.04940e-01
Coefficient C			-2.34100e-04
Coefficient D			2.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.98	J/mol×K	273.00	Calculated Property
Cp,gas	168.39	J/mol×K	353.78	Calculated Property
Cp,gas	195.03	J/mol×K	434.56	Calculated Property
Cp,gas	218.95	J/mol×K	515.33	Calculated Property
Cp,gas	240.22	J/mol×K	596.11	Calculated Property
Cp,gas	258.90	J/mol×K	676.89	Calculated Property
Cp,gas	275.06	J/mol×K	757.67	Calculated Property
Cp,gas	288.75	J/mol×K	838.44	Calculated Property
Cp,gas	300.05	J/mol×K	919.22	Calculated Property
Cp,gas	309.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0091238; 0.0002304]	Pa×s	[182.95; 401.00]	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			-1.14625e+01
Coefficient B			1.23778e+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.			182.95
Temperature range, max.			401.00
η	0.0091238	Pa×s	182.95	Calculated Property
η	0.0041359	Pa×s	207.18	Calculated Property
η	0.0022127	Pa×s	231.40	Calculated Property
η	0.0013328	Pa×s	255.63	Calculated Property
η	0.0008764	Pa×s	279.86	Calculated Property
η	0.0006161	Pa×s	304.09	Calculated Property
η	0.0004563	Pa×s	328.31	Calculated Property
η	0.0003521	Pa×s	352.54	Calculated Property
η	0.0002810	Pa×s	376.77	Calculated Property
η	0.0002304	Pa×s	401.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[283.50; 425.89]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36320e+01
Coefficient B			-3.14702e+03
Coefficient C			-4.76660e+01
Temperature range, min.			283.50
Temperature range, max.			425.89
Pvap	1.33	kPa	283.50	Calculated Property
Pvap	3.09	kPa	299.32	Calculated Property
Pvap	6.46	kPa	315.14	Calculated Property
Pvap	12.47	kPa	330.96	Calculated Property
Pvap	22.44	kPa	346.78	Calculated Property
Pvap	38.07	kPa	362.61	Calculated Property
Pvap	61.40	kPa	378.43	Calculated Property
Pvap	94.80	kPa	394.25	Calculated Property
Pvap	140.92	kPa	410.07	Calculated Property
Pvap	202.64	kPa	425.89	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl acrylate.

Mixtures

• Carbon dioxide + Isopropyl acrylate

Sources

• Cheméo Relay (1.0)
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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