- InChI
- InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)/t5?,6?,7-/m1/s1
- InChI Key
- JESWDXIHOJGWBP-AHXFUIDQSA-N
- Formula
- C8H12O2
- SMILES
- O=C(O)[C@@H]1CC2CCC1C2
- Molecular Weight1
- 140.18
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -445.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.28 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.507 | Crippen Calculated Property | |
| McVol | 109.300 | ml/mol | McGowan Calculated Property |
| Tboil | 514.92 | K | Relay (1.0) Calculated Property |
| Tfus | 332.00 ± 1.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 381.50 ± 0.50 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.30; 410.75] | 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 | -9.94500e+01 | |||
| Coefficient B | 1.08030e+00 | |||
| Coefficient C | -8.22600e-04 | |||
| Coefficient D | 2.52500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 190.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 235.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 273.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 305.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 333.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 356.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 376.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 394.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 410.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025623; 0.0010709] | Pa×s | [332.00; 533.60] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -8.27606e+00 | |||
| Coefficient B | 7.66660e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 332.00 | |||
| Temperature range, max. | 533.60 | |||
| η | 0.0025623 | Pa×s | 332.00 | Calculated Property |
| η | 0.0022143 | Pa×s | 354.40 | Calculated Property |
| η | 0.0019471 | Pa×s | 376.80 | Calculated Property |
| η | 0.0017370 | Pa×s | 399.20 | Calculated Property |
| η | 0.0015685 | Pa×s | 421.60 | Calculated Property |
| η | 0.0014310 | Pa×s | 444.00 | Calculated Property |
| η | 0.0013172 | Pa×s | 466.40 | Calculated Property |
| η | 0.0012216 | Pa×s | 488.80 | Calculated Property |
| η | 0.0011404 | Pa×s | 511.20 | Calculated Property |
| η | 0.0010709 | Pa×s | 533.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Bicyclo(2.2.1)heptane-2-carboxylic acid, endo-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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.
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