- InChI
- InChI=1S/C9H14/c1-7-4-8-2-3-9(5-7)6-8/h8-9H,1-6H2
- InChI Key
- WHZYMMAAJCRPGM-UHFFFAOYSA-N
- Formula
- C9H14
- SMILES
- C=C1CC2CCC(C1)C2
- Molecular Weight1
- 122.21
- CAS
- 4877-39-8
- 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).
- 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 | 0.2730 | Relay (1.0) Calculated Property | |
| ΔfG° | 175.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 7.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | NIST |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.753 | Crippen Calculated Property | |
| McVol | 111.650 | ml/mol | McGowan Calculated Property |
| Pc | 3254.14 | kPa | Joback Calculated Property |
| Tboil | 432.21 | K | Relay (1.0) Calculated Property |
| Tc | 653.66 | K | Relay (1.0) Calculated Property |
| Tfus | 301.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.393 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.76; 318.75] | J/mol×K | [426.50; 636.09] | 
|
| Cp,gas | 227.76 | J/mol×K | 426.50 | Joback Calculated Property |
| Cp,gas | 245.42 | J/mol×K | 461.43 | Joback Calculated Property |
| Cp,gas | 262.00 | J/mol×K | 496.36 | Joback Calculated Property |
| Cp,gas | 277.58 | J/mol×K | 531.30 | Joback Calculated Property |
| Cp,gas | 292.19 | J/mol×K | 566.23 | Joback Calculated Property |
| Cp,gas | 305.90 | J/mol×K | 601.16 | Joback Calculated Property |
| Cp,gas | 318.75 | J/mol×K | 636.09 | Joback Calculated Property |
| η | [0.0005146; 0.0011166] | Pa×s | [233.71; 426.50] |
|
| η | 0.0011166 | Pa×s | 233.71 | Joback Calculated Property |
| η | 0.0009077 | Pa×s | 265.84 | Joback Calculated Property |
| η | 0.0007716 | Pa×s | 297.97 | Joback Calculated Property |
| η | 0.0006769 | Pa×s | 330.11 | Joback Calculated Property |
| η | 0.0006079 | Pa×s | 362.24 | Joback Calculated Property |
| η | 0.0005555 | Pa×s | 394.37 | Joback Calculated Property |
| η | 0.0005146 | Pa×s | 426.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methylenebicyclo[3.2.1octane.
Sources
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