- 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-/m0/s1
- InChI Key
- JESWDXIHOJGWBP-AHXFUIDQSA-N
- Formula
- C8H12O2
- SMILES
- O=C(O)C1CC2CCC1C2
- Molecular Weight1
- 140.18
- CAS
- 934-28-1
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.5763 | Relay (1.0) Calculated Property | |
| ΔfG° | -147.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.507 | Crippen Calculated Property | |
| McVol | 109.300 | ml/mol | McGowan Calculated Property |
| Pc | 4010.84 | kPa | Joback Calculated Property |
| Tboil | 509.12 | K | Relay (1.0) Calculated Property |
| Tc | 764.54 | K | Relay (1.0) Calculated Property |
| Tfus | 332.00 ± 1.00 | K | NIST |
| Vc | 0.383 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.77; 349.43] | J/mol×K | [541.57; 741.38] | 
|
| Cp,gas | 281.77 | J/mol×K | 541.57 | Joback Calculated Property |
| Cp,gas | 294.95 | J/mol×K | 574.87 | Joback Calculated Property |
| Cp,gas | 307.30 | J/mol×K | 608.17 | Joback Calculated Property |
| Cp,gas | 318.88 | J/mol×K | 641.48 | Joback Calculated Property |
| Cp,gas | 329.72 | J/mol×K | 674.78 | Joback Calculated Property |
| Cp,gas | 339.89 | J/mol×K | 708.08 | Joback Calculated Property |
| Cp,gas | 349.43 | J/mol×K | 741.38 | Joback Calculated Property |
| η | [0.0005645; 0.0071130] | Pa×s | [318.79; 541.57] |
|
| η | 0.0071130 | Pa×s | 318.79 | Joback Calculated Property |
| η | 0.0037411 | Pa×s | 355.92 | Joback Calculated Property |
| η | 0.0022216 | Pa×s | 393.05 | Joback Calculated Property |
| η | 0.0014435 | Pa×s | 430.18 | Joback Calculated Property |
| η | 0.0010044 | Pa×s | 467.31 | Joback Calculated Property |
| η | 0.0007372 | Pa×s | 504.44 | Joback Calculated Property |
| η | 0.0005645 | Pa×s | 541.57 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 381.50 ± 0.50 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to Bicyclo(2.2.1)heptane-2-carboxylic acid, endo-.
Sources
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