- InChI
- InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3H,1,4-5H2,2H3
- InChI Key
- BFMKFCLXZSUVPI-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- C=CCC(=O)OCC
- Molecular Weight1
- 114.14
- CAS
- 1617-18-1
- Other Names
-
- Ethyl 3-butenoate
- 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.
- I : 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 | 0.3557 | Relay (1.0) Calculated Property | |
| ΔfG° | -146.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.126 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3435.91 | kPa | Joback Calculated Property |
| Inp | [767.00; 770.00] |
|
|
| Inp | 770.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 770.00 | NIST | |
| I | 1105.00 | NIST | |
| Tboil | 384.74 | K | Relay (1.0) Calculated Property |
| Tc | 582.33 | K | Relay (1.0) Calculated Property |
| Tfus | 185.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.352 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.90; 235.15] | J/mol×K | [409.65; 590.97] |
|
| Cp,gas | 184.90 | J/mol×K | 409.65 | Joback Calculated Property |
| Cp,gas | 194.08 | J/mol×K | 439.87 | Joback Calculated Property |
| Cp,gas | 202.94 | J/mol×K | 470.09 | Joback Calculated Property |
| Cp,gas | 211.47 | J/mol×K | 500.31 | Joback Calculated Property |
| Cp,gas | 219.68 | J/mol×K | 530.53 | Joback Calculated Property |
| Cp,gas | 227.57 | J/mol×K | 560.75 | Joback Calculated Property |
| Cp,gas | 235.15 | J/mol×K | 590.97 | Joback Calculated Property |
| η | [0.0002688; 0.0026729] | Pa×s | [227.78; 409.65] |
|
| η | 0.0026729 | Pa×s | 227.78 | Joback Calculated Property |
| η | 0.0014557 | Pa×s | 258.09 | Joback Calculated Property |
| η | 0.0009008 | Pa×s | 288.40 | Joback Calculated Property |
| η | 0.0006108 | Pa×s | 318.72 | Joback Calculated Property |
| η | 0.0004430 | Pa×s | 349.03 | Joback Calculated Property |
| η | 0.0003382 | Pa×s | 379.34 | Joback Calculated Property |
| η | 0.0002688 | Pa×s | 409.65 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [293.78; 421.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48589e+01 | |||
| Coefficient B | -3.54977e+03 | |||
| Coefficient C | -5.01680e+01 | |||
| Temperature range, min. | 293.78 | |||
| Temperature range, max. | 421.97 | |||
| Pvap | 1.33 | kPa | 293.78 | Calculated Property |
| Pvap | 2.98 | kPa | 308.02 | Calculated Property |
| Pvap | 6.13 | kPa | 322.27 | Calculated Property |
| Pvap | 11.73 | kPa | 336.51 | Calculated Property |
| Pvap | 21.10 | kPa | 350.75 | Calculated Property |
| Pvap | 36.00 | kPa | 365.00 | Calculated Property |
| Pvap | 58.66 | kPa | 379.24 | Calculated Property |
| Pvap | 91.76 | kPa | 393.48 | Calculated Property |
| Pvap | 138.53 | kPa | 407.73 | Calculated Property |
| Pvap | 202.64 | kPa | 421.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Butenoic acid, ethyl 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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