- 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
- 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.
- Ip : 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 | 0.2180 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 ± 0.05 | eV | NIST |
| log10WS | -4.26 | Relay (1.0) 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 | 860.00 | NIST | |
| Inp | 882.00 | NIST | |
| Ip | [935.00; 935.00] |
|
|
| Ip | 935.00 | NIST | |
| Ip | 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 | 604.56 | K | Relay (1.0) Calculated Property |
| Tfus | 195.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.18; 418.91] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.51100e+01 | |||
| Coefficient B | 8.76320e-01 | |||
| Coefficient C | -4.46000e-04 | |||
| Coefficient D | 6.37000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 226.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 266.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 302.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 333.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 360.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 383.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 403.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 418.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0163689; 0.0002060] | Pa×s | [183.78; 431.20] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.17376e+01 | |||
| Coefficient B | 1.40136e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 183.78 | |||
| Temperature range, max. | 431.20 | |||
| η | 0.0163689 | Pa×s | 183.78 | Calculated Property |
| η | 0.0060688 | Pa×s | 211.27 | Calculated Property |
| η | 0.0028276 | Pa×s | 238.76 | Calculated Property |
| η | 0.0015425 | Pa×s | 266.25 | Calculated Property |
| η | 0.0009425 | Pa×s | 293.75 | Calculated Property |
| η | 0.0006266 | Pa×s | 321.24 | Calculated Property |
| η | 0.0004443 | Pa×s | 348.73 | Calculated Property |
| η | 0.0003312 | Pa×s | 376.22 | Calculated Property |
| η | 0.0002570 | Pa×s | 403.71 | Calculated Property |
| η | 0.0002060 | Pa×s | 431.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptane, methyl-.
Sources
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