- InChI
- InChI=1S/C9H18/c1-4-6-7-8-9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5+
- InChI Key
- VOKPUAYTTWEUPZ-WEVVVXLNSA-N
- Formula
- C9H18
- SMILES
- CC=C(C)CCCCC
- Molecular Weight1
- 126.24
- CAS
- 113426-22-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 | 0.3633 | Relay (... Calculated Property | |
| ΔfG° | 96.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.11 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.53 | eV | Relay (... Calculated Property |
| log10WS | -4.83 | Relay (... Calculated Property | |
| logPoct/wat | 3.533 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Inp | 789.00 | NIST | |
| Tboil | 420.59 | K | Relay (... Calculated Property |
| Tc | 584.88 | K | Relay (... Calculated Property |
| Tfus | 185.00 | K | Relay (... Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.03; 334.62] | J/mol×K | [409.36; 583.79] | 
|
| Cp,gas | 258.03 | J/mol×K | 409.36 | Joback Calculated Property |
| Cp,gas | 272.25 | J/mol×K | 438.43 | Joback Calculated Property |
| Cp,gas | 285.86 | J/mol×K | 467.50 | Joback Calculated Property |
| Cp,gas | 298.88 | J/mol×K | 496.58 | Joback Calculated Property |
| Cp,gas | 311.33 | J/mol×K | 525.65 | Joback Calculated Property |
| Cp,gas | 323.24 | J/mol×K | 554.72 | Joback Calculated Property |
| Cp,gas | 334.62 | J/mol×K | 583.79 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [312.02; 443.17] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50654e+01 | |||
| Coefficient B | -3.76278e+03 | |||
| Coefficient C | -5.73960e+01 | |||
| Temperature range, min. | 312.02 | |||
| Temperature range, max. | 443.17 | |||
| Pvap | 1.33 | kPa | 312.02 | Calculated Property |
| Pvap | 2.97 | kPa | 326.59 | Calculated Property |
| Pvap | 6.08 | kPa | 341.16 | Calculated Property |
| Pvap | 11.62 | kPa | 355.74 | Calculated Property |
| Pvap | 20.91 | kPa | 370.31 | Calculated Property |
| Pvap | 35.71 | kPa | 384.88 | Calculated Property |
| Pvap | 58.26 | kPa | 399.45 | Calculated Property |
| Pvap | 91.33 | kPa | 414.03 | Calculated Property |
| Pvap | 138.19 | kPa | 428.60 | Calculated Property |
| Pvap | 202.66 | kPa | 443.17 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-octene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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