- InChI
- InChI=1S/C8H16/c1-6-4-7(2)8(3)5-6/h6-8H,4-5H2,1-3H3/t6-,7+,8-
- InChI Key
- PNUFYSGVPVMNRN-RNLVFQAGSA-N
- Formula
- C8H16
- SMILES
- CC1CC(C)C(C)C1
- Molecular Weight1
- 112.21
- CAS
- 2613-72-1
- Other Names
-
- 1-cis-2-cis-4-Trimethylcyclopentane
- 1,cis-3,cis-4-trimethylcyclopentane
- (1«alpha»,2«alpha»,4«alpha»)-1,2,4-trimethylcyclopentane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -162.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.688 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Inp | [768.75; 820.10] |
|
|
| Inp | 779.50 | NIST | |
| Inp | Outlier 819.40 | NIST | |
| Inp | 783.90 | NIST | |
| Inp | Outlier 820.10 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 780.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 768.75 | NIST | |
| Inp | 772.10 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 775.50 | NIST | |
| Inp | 777.70 | NIST | |
| Inp | 779.50 | NIST | |
| Inp | 781.00 | NIST | |
| Inp | 782.20 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 791.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 779.50 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 768.75 | NIST | |
| Inp | 772.10 | NIST | |
| Tboil | [389.90; 391.00] | K |
|
| Tboil | 389.90 ± 0.20 | K | NIST |
| Tboil | 390.10 ± 2.00 | K | NIST |
| Tboil | 391.00 ± 2.00 | K | NIST |
| Tc | 567.85 | K | Relay (1.0) Calculated Property |
| Tfus | 140.83 ± 0.15 | K | NIST |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.62; 304.79] | J/mol×K | [388.38; 579.97] |
|
| Cp,gas | 213.62 | J/mol×K | 388.38 | Joback Calculated Property |
| Cp,gas | 230.52 | J/mol×K | 420.31 | Joback Calculated Property |
| Cp,gas | 246.72 | J/mol×K | 452.24 | Joback Calculated Property |
| Cp,gas | 262.24 | J/mol×K | 484.17 | Joback Calculated Property |
| Cp,gas | 277.08 | J/mol×K | 516.11 | Joback Calculated Property |
| Cp,gas | 291.26 | J/mol×K | 548.04 | Joback Calculated Property |
| Cp,gas | 304.79 | J/mol×K | 579.97 | Joback Calculated Property |
| η | [0.0002619; 0.0010560] | Pa×s | [182.34; 388.38] |
|
| η | 0.0010560 | Pa×s | 182.34 | Joback Calculated Property |
| η | 0.0006962 | Pa×s | 216.68 | Joback Calculated Property |
| η | 0.0005145 | Pa×s | 251.02 | Joback Calculated Property |
| η | 0.0004089 | Pa×s | 285.36 | Joback Calculated Property |
| η | 0.0003414 | Pa×s | 319.70 | Joback Calculated Property |
| η | 0.0002952 | Pa×s | 354.04 | Joback Calculated Property |
| η | 0.0002619 | Pa×s | 388.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, 1,2,4-trimethyl-, (1«alpha»,2«alpha»,4«alpha»)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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