- InChI
- InChI=1S/C13H20/c1-2-3-13-11-5-9-4-10(7-11)8-12(13)6-9/h3,9-12H,2,4-8H2,1H3/b13-3-
- InChI Key
- NMSHDLHOYYNLED-DXNYSGJVSA-N
- Formula
- C13H20
- SMILES
- CCC=C1C2CC3CC(C2)CC1C3
- Molecular Weight1
- 176.30
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.3288 | Relay (1.0) Calculated Property | |
| ΔfG° | 266.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.779 | Crippen Calculated Property | |
| McVol | 157.150 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Inp | [1339.00; 1373.00] |
|
|
| Inp | 1339.00 | NIST | |
| Inp | 1339.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1373.00 | NIST | |
| I | [1540.00; 1577.00] |
|
|
| I | 1540.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1577.00 | NIST | |
| Tboil | 516.63 | K | Relay (1.0) Calculated Property |
| Tc | 758.08 | K | Relay (1.0) Calculated Property |
| Tfus | 413.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.50; 510.46] | J/mol×K | [523.30; 734.81] |
|
| Cp,gas | 401.50 | J/mol×K | 523.30 | Joback Calculated Property |
| Cp,gas | 422.85 | J/mol×K | 558.55 | Joback Calculated Property |
| Cp,gas | 442.78 | J/mol×K | 593.80 | Joback Calculated Property |
| Cp,gas | 461.41 | J/mol×K | 629.06 | Joback Calculated Property |
| Cp,gas | 478.83 | J/mol×K | 664.31 | Joback Calculated Property |
| Cp,gas | 495.15 | J/mol×K | 699.56 | Joback Calculated Property |
| Cp,gas | 510.46 | J/mol×K | 734.81 | Joback Calculated Property |
| η | [0.0011085; 0.0014069] | Pa×s | [292.69; 523.30] |
|
| η | 0.0011085 | Pa×s | 292.69 | Joback Calculated Property |
| η | 0.0011803 | Pa×s | 331.12 | Joback Calculated Property |
| η | 0.0012405 | Pa×s | 369.56 | Joback Calculated Property |
| η | 0.0012916 | Pa×s | 408.00 | Joback Calculated Property |
| η | 0.0013355 | Pa×s | 446.43 | Joback Calculated Property |
| η | 0.0013735 | Pa×s | 484.87 | Joback Calculated Property |
| η | 0.0014069 | Pa×s | 523.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-propylideneadamantane.
Sources
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