- InChI
- InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3/t7-,8+,9-
- InChI Key
- ODNRTOSCFYDTKF-AYMMMOKOSA-N
- Formula
- C9H18
- SMILES
- C[C@H]1C[C@@H](C)C[C@@H](C)C1
- Molecular Weight1
- 126.24
- 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.
- 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 | 0.2466 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Inp | 827.00 | NIST | |
| Tboil | 414.74 | K | Relay (1.0) Calculated Property |
| Tc | 603.15 | K | Relay (1.0) Calculated Property |
| Tfus | 202.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.93; 357.68] | J/mol×K | [415.73; 613.87] | 
|
| Cp,gas | 254.93 | J/mol×K | 415.73 | Joback Calculated Property |
| Cp,gas | 274.04 | J/mol×K | 448.75 | Joback Calculated Property |
| Cp,gas | 292.34 | J/mol×K | 481.78 | Joback Calculated Property |
| Cp,gas | 309.84 | J/mol×K | 514.80 | Joback Calculated Property |
| Cp,gas | 326.56 | J/mol×K | 547.82 | Joback Calculated Property |
| Cp,gas | 342.51 | J/mol×K | 580.85 | Joback Calculated Property |
| Cp,gas | 357.68 | J/mol×K | 613.87 | Joback Calculated Property |
| η | [0.0002563; 0.0024227] | Pa×s | [190.09; 415.73] |
|
| η | 0.0024227 | Pa×s | 190.09 | Joback Calculated Property |
| η | 0.0012230 | Pa×s | 227.70 | Joback Calculated Property |
| η | 0.0007494 | Pa×s | 265.30 | Joback Calculated Property |
| η | 0.0005186 | Pa×s | 302.91 | Joback Calculated Property |
| η | 0.0003893 | Pa×s | 340.52 | Joback Calculated Property |
| η | 0.0003093 | Pa×s | 378.12 | Joback Calculated Property |
| η | 0.0002563 | Pa×s | 415.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis,cis,cis-1.3.5-Trimethylcyclohexane.
Sources
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