- InChI
- InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
- InChI Key
- HDJLSECJEQSPKW-UHFFFAOYSA-N
- Formula
- C6H6O3
- SMILES
- COC(=O)c1ccco1
- Molecular Weight1
- 126.11
- CAS
- 611-13-2
- Other Names
-
- 2-Furancarboxylic acid, methyl ester
- 2-Furoic acid, methyl ester
- Methyl pyromucate
- Methyl 2-furancarboxylate
- Pyromucic acid methyl ester
- Methyl «alpha»-furoate
- Furan-«alpha»-carboxylic acid methyl ester
- 2-(Methoxycarbonyl)furan
- Methyl 2-furylcarboxylate
- NSC 35551
- Methyl furoate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -2769.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°gas | -405.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -450.20 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | [45.20; 45.20] | kJ/mol |
|
| ΔvapH° | 45.20 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 45.20 | kJ/mol | NIST |
| IE | [9.00; 9.32] | eV |
|
| IE | 9.32 ± 0.05 | eV | NIST |
| IE | 9.00 ± 0.05 | eV | NIST |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 1.066 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Inp | [937.00; 985.00] |
|
|
| Inp | 983.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 984.90 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 985.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | Outlier 937.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 984.90 | NIST | |
| I | [1515.00; 1578.00] |
|
|
| I | 1561.00 | NIST | |
| I | 1572.00 | NIST | |
| I | 1553.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1569.00 | NIST | |
| I | 1562.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1563.00 | NIST | |
| I | 1564.00 | NIST | |
| I | 1565.00 | NIST | |
| I | 1567.00 | NIST | |
| I | Outlier 1515.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1578.00 | NIST | |
| I | 1561.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1561.00 | NIST | |
| I | 1570.00 | NIST | |
| I | 1572.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1561.00 | NIST | |
| I | 1562.00 | NIST | |
| I | 1567.00 | NIST | |
| Tboil | 454.50 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 44.43 | kJ/mol | 454.80 | NIST |
Similar Compounds
Find more compounds similar to Methyl 2-furoate.
Sources
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.