- InChI
- InChI=1S/C9H18/c1-8-5-3-4-6-9(2)7-8/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
- InChI Key
- PTWXFJWKUMXFLI-IUCAKERBSA-N
- Formula
- C9H18
- SMILES
- CC1CCCCC(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 | 0.2574 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -201.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| Inp | 927.00 | NIST | |
| Tboil | 424.80 | K | Relay (1.0) Calculated Property |
| Tc | 617.84 | K | Relay (1.0) Calculated Property |
| Tfus | 184.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.452 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.66; 477.16] | 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 | -7.00800e+01 | |||
| Coefficient B | 9.44840e-01 | |||
| Coefficient C | -4.45000e-04 | |||
| Coefficient D | 4.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 210.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 305.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 345.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 380.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 410.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 437.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 459.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 477.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0086504; 0.0002103] | Pa×s | [190.81; 442.05] |
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 | -1.12898e+01 | |||
| Coefficient B | 1.24783e+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. | 190.81 | |||
| Temperature range, max. | 442.05 | |||
| η | 0.0086504 | Pa×s | 190.81 | Calculated Property |
| η | 0.0037546 | Pa×s | 218.73 | Calculated Property |
| η | 0.0019685 | Pa×s | 246.64 | Calculated Property |
| η | 0.0011769 | Pa×s | 274.56 | Calculated Property |
| η | 0.0007737 | Pa×s | 302.47 | Calculated Property |
| η | 0.0005460 | Pa×s | 330.39 | Calculated Property |
| η | 0.0004068 | Pa×s | 358.30 | Calculated Property |
| η | 0.0003163 | Pa×s | 386.22 | Calculated Property |
| η | 0.0002544 | Pa×s | 414.13 | Calculated Property |
| η | 0.0002103 | Pa×s | 442.05 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-1,3-Dimethylcycloheptane.
Sources
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