- InChI
- InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3
- InChI Key
- IMAKHNTVDGLIRY-UHFFFAOYSA-N
- Formula
- C4H4O2
- SMILES
- C#CC(=O)OC
- Molecular Weight1
- 84.07
- CAS
- 922-67-8
- Other Names
-
- Propiolic acid, methyl ester
- Methyl acetylenecarboxylate
- Methyl ethynecarboxylate
- Methyl propiolate
- Methyl propynoate
- Acetylenecarboxylic acid methyl ester
- Propynoic acid, methyl ester
- NSC 154164
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | -28.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -78.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [28.90; 36.30] | kJ/mol |
|
| ΔvapH° | 28.90 | kJ/mol | NIST |
| ΔvapH° | 35.60 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 36.30 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 35.90 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 35.80 ± 0.10 | kJ/mol | NIST |
| IE | [10.30; 10.75] | eV |
|
| IE | 10.30 | eV | NIST |
| IE | 10.75 | eV | NIST |
| log10WS | -0.15 | Crippen Calculated Property | |
| logPoct/wat | -0.207 | Crippen Calculated Property | |
| McVol | 66.060 | ml/mol | McGowan Calculated Property |
| Pc | 5044.23 | kPa | Joback Calculated Property |
| Tboil | [377.00; 377.20] | K |
|
| Tboil | 377.20 | K | NIST |
| Tboil | 377.00 ± 1.00 | K | NIST |
| Tc | 550.07 | K | Joback Calculated Property |
| Tfus | 253.97 | K | Joback Calculated Property |
| Vc | 0.245 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [108.82; 135.53] | J/mol×K | [357.33; 550.07] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 110 115 120 125 130 135 400 450 500 550 | ||||
| Cp,gas | 108.82 | J/mol×K | 357.33 | Joback Calculated Property |
| Cp,gas | 113.64 | J/mol×K | 389.45 | Joback Calculated Property |
| Cp,gas | 118.32 | J/mol×K | 421.58 | Joback Calculated Property |
| Cp,gas | 122.85 | J/mol×K | 453.70 | Joback Calculated Property |
| Cp,gas | 127.23 | J/mol×K | 485.82 | Joback Calculated Property |
| Cp,gas | 131.45 | J/mol×K | 517.95 | Joback Calculated Property |
| Cp,gas | 135.53 | J/mol×K | 550.07 | Joback Calculated Property |
| ΔvapH | [31.50; 39.10] | kJ/mol | [292.00; 419.50] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 32 34 36 38 300 350 400 | ||||
| ΔvapH | 39.10 | kJ/mol | 292.00 | NIST |
| ΔvapH | 34.90 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 35.90 | kJ/mol | 323.00 | NIST |
| ΔvapH | 34.20 ± 0.10 | kJ/mol | 326.00 | NIST |
| ΔvapH | 33.80 ± 0.10 | kJ/mol | 331.00 | NIST |
| ΔvapH | 32.80 ± 0.10 | kJ/mol | 344.00 | NIST |
| ΔvapH | 32.10 ± 0.10 | kJ/mol | 355.00 | NIST |
| ΔvapH | 31.50 ± 0.10 | kJ/mol | 363.00 | NIST |
| ΔvapH | 32.80 | kJ/mol | 419.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Propynoic acid, methyl ester.
Sources
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