- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -412.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.514 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Inp | [806.00; 811.00] |
|
|
| Inp | 806.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 807.00 | NIST | |
| Inp | 806.00 | NIST | |
| I | [1039.00; 1043.00] |
|
|
| I | 1043.00 | NIST | |
| I | 1039.00 | NIST | |
| Tboil | 380.81 | K | Relay (1.0) Calculated Property |
| Tc | 579.72 | K | Relay (1.0) Calculated Property |
| Tfus | 222.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.34; 360.33] | 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 | 1.75700e+01 | |||
| Coefficient B | 5.99860e-01 | |||
| Coefficient C | -2.90800e-04 | |||
| Coefficient D | 3.37000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 160.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 226.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 254.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 278.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 300.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 319.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 335.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 349.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 360.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [299.22; 452.24] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
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
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