- InChI
- InChI=1S/C7H12O2/c1-4-6(3)9-7(8)5-2/h5-6H,2,4H2,1,3H3
- InChI Key
- RNOOHTVUSNIPCJ-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- C=CC(=O)OC(C)CC
- Molecular Weight1
- 128.17
- CAS
- 2998-08-5
- Other Names
-
- Acrylic acid, sec-butyl ester
- s-Butyl acrylate
- sec-Butyl Acrylate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4493 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.514 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| Tboil | 391.08 | K | Relay (1.0) Calculated Property |
| Tc | 580.92 | K | Relay (1.0) Calculated Property |
| Tfus | 200.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.93; 281.64] | J/mol×K | [432.09; 616.21] | 
|
| Cp,gas | 222.93 | J/mol×K | 432.09 | Joback Calculated Property |
| Cp,gas | 233.73 | J/mol×K | 462.78 | Joback Calculated Property |
| Cp,gas | 244.12 | J/mol×K | 493.46 | Joback Calculated Property |
| Cp,gas | 254.10 | J/mol×K | 524.15 | Joback Calculated Property |
| Cp,gas | 263.67 | J/mol×K | 554.84 | Joback Calculated Property |
| Cp,gas | 272.85 | J/mol×K | 585.52 | Joback Calculated Property |
| Cp,gas | 281.64 | J/mol×K | 616.21 | Joback Calculated Property |
| η | [0.0002529; 0.0042260] | Pa×s | [224.05; 432.09] |
|
| η | 0.0042260 | Pa×s | 224.05 | Joback Calculated Property |
| η | 0.0019297 | Pa×s | 258.72 | Joback Calculated Property |
| η | 0.0010605 | Pa×s | 293.40 | Joback Calculated Property |
| η | 0.0006615 | Pa×s | 328.07 | Joback Calculated Property |
| η | 0.0004515 | Pa×s | 362.74 | Joback Calculated Property |
| η | 0.0003294 | Pa×s | 397.42 | Joback Calculated Property |
| η | 0.0002529 | Pa×s | 432.09 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [303.32; 450.63] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38311e+01 | |||
| Coefficient B | -3.38339e+03 | |||
| Coefficient C | -5.35040e+01 | |||
| Temperature range, min. | 303.32 | |||
| Temperature range, max. | 450.63 | |||
| Pvap | 1.33 | kPa | 303.32 | Calculated Property |
| Pvap | 3.07 | kPa | 319.69 | Calculated Property |
| Pvap | 6.40 | kPa | 336.06 | Calculated Property |
| Pvap | 12.33 | kPa | 352.42 | Calculated Property |
| Pvap | 22.20 | kPa | 368.79 | Calculated Property |
| Pvap | 37.70 | kPa | 385.16 | Calculated Property |
| Pvap | 60.91 | kPa | 401.53 | Calculated Property |
| Pvap | 94.26 | kPa | 417.89 | Calculated Property |
| Pvap | 140.50 | kPa | 434.26 | Calculated Property |
| Pvap | 202.64 | kPa | 450.63 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 1-methylpropyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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