- InChI
- InChI=1S/C8H16/c1-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3
- InChI Key
- GYNNXHKOJHMOHS-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC1CCCCCC1
- Molecular Weight1
- 112.21
- CAS
- 4126-78-7
- Other Names
-
- Methylcycloheptane
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | 28.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.00 | kJ/mol | Joback Calculated Property |
| IE | 9.70 ± 0.05 | eV | NIST |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.977 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Inp | [860.00; 908.00] |
|
|
| Inp | 864.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | Outlier 908.00 | NIST | |
| Inp | 882.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 882.00 | NIST | |
| Inp | 860.00 | NIST | |
| I | [935.00; 935.00] |
|
|
| I | 935.00 | NIST | |
| I | 935.00 | NIST | |
| Tboil | [407.00; 407.20] | K |
|
| Tboil | 407.20 | K | NIST |
| Tboil | 407.00 ± 3.00 | K | NIST |
| Tboil | 407.00 ± 3.00 | K | NIST |
| Tboil | 407.00 ± 3.00 | K | NIST |
| Tc | 615.70 | K | Joback Calculated Property |
| Tfus | 183.78 | K | Joback Calculated Property |
| Vc | 0.408 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.56; 310.24] | J/mol×K | [406.26; 615.70] |
|
| Cp,gas | 211.56 | J/mol×K | 406.26 | Joback Calculated Property |
| Cp,gas | 230.16 | J/mol×K | 441.17 | Joback Calculated Property |
| Cp,gas | 247.87 | J/mol×K | 476.07 | Joback Calculated Property |
| Cp,gas | 264.72 | J/mol×K | 510.98 | Joback Calculated Property |
| Cp,gas | 280.72 | J/mol×K | 545.89 | Joback Calculated Property |
| Cp,gas | 295.89 | J/mol×K | 580.80 | Joback Calculated Property |
| Cp,gas | 310.24 | J/mol×K | 615.70 | Joback Calculated Property |
| η | [0.0002515; 0.0163689] | Pa×s | [183.78; 406.26] |
|
| η | 0.0163689 | Pa×s | 183.78 | Joback Calculated Property |
| η | 0.0045503 | Pa×s | 220.86 | Joback Calculated Property |
| η | 0.0018277 | Pa×s | 257.94 | Joback Calculated Property |
| η | 0.0009233 | Pa×s | 295.02 | Joback Calculated Property |
| η | 0.0005433 | Pa×s | 332.10 | Joback Calculated Property |
| η | 0.0003556 | Pa×s | 369.18 | Joback Calculated Property |
| η | 0.0002515 | Pa×s | 406.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptane, methyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.