- InChI
- InChI=1S/C9H16/c1-7-5-8-3-2-4-9(8)6-7/h7-9H,2-6H2,1H3
- InChI Key
- OWJYQLKKWIHHLI-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CC1CC2CCCC2C1
- Molecular Weight1
- 124.22
- CAS
- 3868-64-2
- Other Names
-
- 3-methylbicyclo[ 3.3.0]octane
- 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).
- Ip : 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 | 0.2820 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 115.950 | ml/mol | McGowan Calculated Property |
| Pc | 3069.34 | kPa | Joback Calculated Property |
| Ip | [1056.00; 1056.00] |
|
|
| Ip | 1056.00 | NIST | |
| Ip | 1056.00 | NIST | |
| Tboil | 429.26 | K | Relay (1.0) Calculated Property |
| Tc | 647.66 | K | Relay (1.0) Calculated Property |
| Tfus | 216.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.00; 453.34] | 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 | -1.10080e+02 | |||
| Coefficient B | 1.11492e+00 | |||
| Coefficient C | -7.58000e-04 | |||
| Coefficient D | 2.06500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 198.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 248.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 291.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 328.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 361.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 389.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 413.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 434.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 453.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009865; 0.0004790] | Pa×s | [215.79; 441.12] |
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 | -8.33589e+00 | |||
| Coefficient B | 3.05250e+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. | 215.79 | |||
| Temperature range, max. | 441.12 | |||
| η | 0.0009865 | Pa×s | 215.79 | Calculated Property |
| η | 0.0008516 | Pa×s | 240.83 | Calculated Property |
| η | 0.0007558 | Pa×s | 265.86 | Calculated Property |
| η | 0.0006847 | Pa×s | 290.90 | Calculated Property |
| η | 0.0006300 | Pa×s | 315.94 | Calculated Property |
| η | 0.0005869 | Pa×s | 340.98 | Calculated Property |
| η | 0.0005520 | Pa×s | 366.01 | Calculated Property |
| η | 0.0005233 | Pa×s | 391.05 | Calculated Property |
| η | 0.0004993 | Pa×s | 416.09 | Calculated Property |
| η | 0.0004790 | Pa×s | 441.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentalene, octahydro-2-methyl-.
Sources
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