![6-Hydroxymethylbicyclo[2.2.1]hept-2-ene-1-carboxylic acid, methyl ester](/cid/94-541-7/6-Hydroxymethylbicyclo-2-2-1-hept-2-ene-1-carboxylic-acid-methyl-ester.png "6-Hydroxymethylbicyclo[2.2.1]hept-2-ene-1-carboxylic acid, methyl ester")
- InChI
- InChI=1S/C10H14O3/c1-13-9(12)10-3-2-7(5-10)4-8(10)6-11/h2-3,7-8,11H,4-6H2,1H3
- InChI Key
- MTAURAMEOVOLEM-UHFFFAOYSA-N
- Formula
- C10H14O3
- SMILES
- COC(=O)C12C=CC(CC1CO)C2
- Molecular Weight1
- 182.22
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5481 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.734 | Crippen Calculated Property | |
| McVol | 139.050 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | [1368.00; 1368.00] |
|
|
| Inp | 1368.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Tboil | 517.27 | K | Relay (1.0) Calculated Property |
| Tc | 759.69 | K | Relay (1.0) Calculated Property |
| Tfus | 367.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.28; 447.25] | J/mol×K | [609.15; 810.61] |
|
| Cp,gas | 379.28 | J/mol×K | 609.15 | Joback Calculated Property |
| Cp,gas | 392.05 | J/mol×K | 642.73 | Joback Calculated Property |
| Cp,gas | 404.09 | J/mol×K | 676.30 | Joback Calculated Property |
| Cp,gas | 415.52 | J/mol×K | 709.88 | Joback Calculated Property |
| Cp,gas | 426.45 | J/mol×K | 743.45 | Joback Calculated Property |
| Cp,gas | 436.99 | J/mol×K | 777.03 | Joback Calculated Property |
| Cp,gas | 447.25 | J/mol×K | 810.61 | Joback Calculated Property |
Similar Compounds
Sources
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