- InChI
- InChI=1S/C9H18/c1-8(2)6-5-7-9(8,3)4/h5-7H2,1-4H3
- InChI Key
- YXDMSFJDVHXFCV-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CC1(C)CCCC1(C)C
- Molecular Weight1
- 126.24
- CAS
- 52688-89-8
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- 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 | 0.2694 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 1.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Tboil | 408.72 | K | Relay (1.0) Calculated Property |
| Tc | 622.11 | K | Relay (1.0) Calculated Property |
| Tfus | 367.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.67; 353.14] | J/mol×K | [416.61; 625.08] | 
|
| Cp,gas | 257.67 | J/mol×K | 416.61 | Joback Calculated Property |
| Cp,gas | 276.92 | J/mol×K | 451.35 | Joback Calculated Property |
| Cp,gas | 294.60 | J/mol×K | 486.10 | Joback Calculated Property |
| Cp,gas | 310.88 | J/mol×K | 520.84 | Joback Calculated Property |
| Cp,gas | 325.95 | J/mol×K | 555.59 | Joback Calculated Property |
| Cp,gas | 339.98 | J/mol×K | 590.33 | Joback Calculated Property |
| Cp,gas | 353.14 | J/mol×K | 625.08 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [294.44; 457.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.25620e+01 | |||
| Coefficient B | -2.88477e+03 | |||
| Coefficient C | -5.94200e+01 | |||
| Temperature range, min. | 294.44 | |||
| Temperature range, max. | 457.29 | |||
| Pvap | 1.33 | kPa | 294.44 | Calculated Property |
| Pvap | 3.21 | kPa | 312.53 | Calculated Property |
| Pvap | 6.86 | kPa | 330.63 | Calculated Property |
| Pvap | 13.34 | kPa | 348.72 | Calculated Property |
| Pvap | 23.99 | kPa | 366.82 | Calculated Property |
| Pvap | 40.42 | kPa | 384.91 | Calculated Property |
| Pvap | 64.45 | kPa | 403.01 | Calculated Property |
| Pvap | 98.10 | kPa | 421.10 | Calculated Property |
| Pvap | 143.46 | kPa | 439.20 | Calculated Property |
| Pvap | 202.65 | kPa | 457.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,2,2-tetramethylcyclopentane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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