- 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 (... Calculated Property | |
| ΔfG° | -31.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.04 | kJ/mol | Relay (... Calculated Property |
| IE | 9.85 | eV | Relay (... Calculated Property |
| log10WS | -0.92 | Relay (... Calculated Property | |
| logPoct/wat | 0.573 | Crippen Calculated Property | |
| McVol | 94.240 | ml/mol | McGowan Calculated Property |
| Pc | 3965.51 | kPa | Joback Calculated Property |
| Tboil | 436.20 | K | NIST |
| Tc | 576.94 | K | Relay (... Calculated Property |
| Tfus | 272.57 | K | Relay (... Calculated Property |
| Vc | 0.341 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.07; 218.34] | J/mol×K | [421.97; 625.16] | 
|
| Cp,gas | 172.07 | J/mol×K | 421.97 | Joback Calculated Property |
| Cp,gas | 180.45 | J/mol×K | 455.84 | Joback Calculated Property |
| Cp,gas | 188.58 | J/mol×K | 489.70 | Joback Calculated Property |
| Cp,gas | 196.44 | J/mol×K | 523.57 | Joback Calculated Property |
| Cp,gas | 204.02 | J/mol×K | 557.43 | Joback Calculated Property |
| Cp,gas | 211.32 | J/mol×K | 591.30 | Joback Calculated Property |
| Cp,gas | 218.34 | J/mol×K | 625.16 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 25.30 | NIST |
Similar Compounds
Find more compounds similar to Ethyl 2-butynoate.
Sources
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