- InChI
- InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h4H2,1-2H3
- InChI Key
- FCJJZKCJURDYNF-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CC#CC(=O)OCC
- Molecular Weight1
- 112.13
- CAS
- 4341-76-8
- Other Names
-
- Ethyl tetrolate
- 2-Butynoic acid, ethyl ester
- Tetrolic acid, ethyl ester
- Ethyl 1-propynecarboxylate
- Ethyl 3-methylpropiolate
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3397 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.573 | Crippen Calculated Property | |
| McVol | 94.240 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Tboil | 436.20 | K | NIST |
| Tc | 583.92 | K | Relay (1.0) Calculated Property |
| Tfus | 263.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.347 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 25.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.20; 275.86] | 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 | 4.04010e+01 | |||
| Coefficient B | 3.69240e-01 | |||
| Coefficient C | -1.15860e-04 | |||
| Coefficient D | -1.79200e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 197.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 215.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 231.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 245.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 257.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 268.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 275.86 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-butynoate.
Sources
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