- InChI
- InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h7-9H,4-6H2,1-3H3/b8-7+
- InChI Key
- RXYSIDRRVRTDIF-BQYQJAHWSA-N
- Formula
- C9H18
- SMILES
- CCCCC=CC(C)C
- Molecular Weight1
- 126.24
- CAS
- 52937-36-7
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3356 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -144.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2445.89 | kPa | Joback Calculated Property |
| Tboil | 397.36 | K | Relay (1.0) Calculated Property |
| Tc | 567.41 | K | Relay (1.0) Calculated Property |
| Tfus | 163.38 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.09; 453.60] | 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 | -2.11570e+01 | |||
| Coefficient B | 8.84760e-01 | |||
| Coefficient C | -5.52800e-04 | |||
| Coefficient D | 1.42800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 270.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 307.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 340.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 368.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 393.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 453.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0104021; 0.0001936] | Pa×s | [171.11; 409.05] |
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 | -1.14148e+01 | |||
| Coefficient B | 1.17194e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 171.11 | |||
| Temperature range, max. | 409.05 | |||
| η | 0.0104021 | Pa×s | 171.11 | Calculated Property |
| η | 0.0041595 | Pa×s | 197.55 | Calculated Property |
| η | 0.0020651 | Pa×s | 223.99 | Calculated Property |
| η | 0.0011886 | Pa×s | 250.42 | Calculated Property |
| η | 0.0007603 | Pa×s | 276.86 | Calculated Property |
| η | 0.0005257 | Pa×s | 303.30 | Calculated Property |
| η | 0.0003856 | Pa×s | 329.74 | Calculated Property |
| η | 0.0002962 | Pa×s | 356.18 | Calculated Property |
| η | 0.0002360 | Pa×s | 382.61 | Calculated Property |
| η | 0.0001936 | Pa×s | 409.05 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Methyl-3-octene.
Sources
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