- InChI
- InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3
- InChI Key
- GITITJADGZYSRL-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- C=CCC(=O)OC
- Molecular Weight1
- 100.12
- CAS
- 3724-55-8
- Other Names
-
- 3-Butenoic acid, methyl ester
- CH2=CHCH2C(O)OCH3
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3169 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -308.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.735 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Inp | [692.00; 718.00] |
|
|
| Inp | 692.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 718.00 | NIST | |
| Tboil | 367.24 | K | Relay (1.0) Calculated Property |
| Tc | 562.23 | K | Relay (1.0) Calculated Property |
| Tfus | 168.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.295 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.35; 191.98] | J/mol×K | [386.77; 569.17] |
|
| Cp,gas | 149.35 | J/mol×K | 386.77 | Joback Calculated Property |
| Cp,gas | 157.10 | J/mol×K | 417.17 | Joback Calculated Property |
| Cp,gas | 164.59 | J/mol×K | 447.57 | Joback Calculated Property |
| Cp,gas | 171.82 | J/mol×K | 477.97 | Joback Calculated Property |
| Cp,gas | 178.80 | J/mol×K | 508.37 | Joback Calculated Property |
| Cp,gas | 185.52 | J/mol×K | 538.77 | Joback Calculated Property |
| Cp,gas | 191.98 | J/mol×K | 569.17 | Joback Calculated Property |
| η | [0.0002673; 0.0024241] | Pa×s | [216.51; 386.77] |
|
| η | 0.0024241 | Pa×s | 216.51 | Joback Calculated Property |
| η | 0.0013568 | Pa×s | 244.89 | Joback Calculated Property |
| η | 0.0008567 | Pa×s | 273.26 | Joback Calculated Property |
| η | 0.0005898 | Pa×s | 301.64 | Joback Calculated Property |
| η | 0.0004330 | Pa×s | 330.02 | Joback Calculated Property |
| η | 0.0003338 | Pa×s | 358.39 | Joback Calculated Property |
| η | 0.0002673 | Pa×s | 386.77 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [288.82; 389.28] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.73439e+01 | |||
| Coefficient B | -4.10370e+03 | |||
| Coefficient C | -4.82220e+01 | |||
| Temperature range, min. | 288.82 | |||
| Temperature range, max. | 389.28 | |||
| Pvap | 1.33 | kPa | 288.82 | Calculated Property |
| Pvap | 2.84 | kPa | 299.98 | Calculated Property |
| Pvap | 5.67 | kPa | 311.14 | Calculated Property |
| Pvap | 10.71 | kPa | 322.31 | Calculated Property |
| Pvap | 19.25 | kPa | 333.47 | Calculated Property |
| Pvap | 33.09 | kPa | 344.63 | Calculated Property |
| Pvap | 54.68 | kPa | 355.79 | Calculated Property |
| Pvap | 87.25 | kPa | 366.96 | Calculated Property |
| Pvap | 134.89 | kPa | 378.12 | Calculated Property |
| Pvap | 202.67 | kPa | 389.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3-butenoate.
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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