- InChI
- InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4-
- InChI Key
- OAPHLAAOJMTMLY-GQCTYLIASA-N
- Formula
- C7H12O2
- SMILES
- C/C=C(\C)C(=O)OCC
- Molecular Weight1
- 128.17
- CAS
- 5837-78-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.3964 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 2992.59 | kPa | Joback Calculated Property |
| Tboil | 422.86 | K | Relay (1.0) Calculated Property |
| Tc | 616.93 | K | Relay (1.0) Calculated Property |
| Tfus | 202.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.36; 278.82] | J/mol×K | [422.02; 606.97] | 
|
| Cp,gas | 218.36 | J/mol×K | 422.02 | Joback Calculated Property |
| Cp,gas | 229.64 | J/mol×K | 452.85 | Joback Calculated Property |
| Cp,gas | 240.43 | J/mol×K | 483.67 | Joback Calculated Property |
| Cp,gas | 250.72 | J/mol×K | 514.50 | Joback Calculated Property |
| Cp,gas | 260.55 | J/mol×K | 545.32 | Joback Calculated Property |
| Cp,gas | 269.91 | J/mol×K | 576.15 | Joback Calculated Property |
| Cp,gas | 278.82 | J/mol×K | 606.97 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [324.02; 443.24] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64182e+01 | |||
| Coefficient B | -4.25147e+03 | |||
| Coefficient C | -6.04540e+01 | |||
| Temperature range, min. | 324.02 | |||
| Temperature range, max. | 443.24 | |||
| Pvap | 1.33 | kPa | 324.02 | Calculated Property |
| Pvap | 2.88 | kPa | 337.27 | Calculated Property |
| Pvap | 5.82 | kPa | 350.51 | Calculated Property |
| Pvap | 11.03 | kPa | 363.76 | Calculated Property |
| Pvap | 19.84 | kPa | 377.01 | Calculated Property |
| Pvap | 34.02 | kPa | 390.25 | Calculated Property |
| Pvap | 55.97 | kPa | 403.50 | Calculated Property |
| Pvap | 88.73 | kPa | 416.75 | Calculated Property |
| Pvap | 136.10 | kPa | 429.99 | Calculated Property |
| Pvap | 202.65 | kPa | 443.24 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl trans-2-methyl-2-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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