- InChI
- InChI=1S/C9H18/c1-7(2)9-6-4-5-8(9)3/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1
- InChI Key
- CGWXYEIWDQDFIU-IUCAKERBSA-N
- Formula
- C9H18
- SMILES
- CC(C)[C@H]1CCC[C@H]1C
- 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 | 0.2567 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | [890.80; 895.00] |
|
|
| Inp | 890.80 | NIST | |
| Inp | 895.00 | NIST | |
| Tboil | 415.58 | K | Relay (1.0) Calculated Property |
| Tc | 643.92 | K | Relay (1.0) Calculated Property |
| Tfus | 159.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.13; 474.14] | 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 | -6.15200e+01 | |||
| Coefficient B | 9.69960e-01 | |||
| Coefficient C | -5.41000e-04 | |||
| Coefficient D | 1.06700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 165.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 218.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 266.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 309.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 347.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 380.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 409.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 434.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 455.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 474.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039722; 0.0002699] | Pa×s | [182.85; 427.70] |
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 | -1.02258e+01 | |||
| Coefficient B | 8.58910e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 182.85 | |||
| Temperature range, max. | 427.70 | |||
| η | 0.0039722 | Pa×s | 182.85 | Calculated Property |
| η | 0.0021618 | Pa×s | 210.06 | Calculated Property |
| η | 0.0013527 | Pa×s | 237.26 | Calculated Property |
| η | 0.0009321 | Pa×s | 264.47 | Calculated Property |
| η | 0.0006885 | Pa×s | 291.67 | Calculated Property |
| η | 0.0005355 | Pa×s | 318.88 | Calculated Property |
| η | 0.0004333 | Pa×s | 346.08 | Calculated Property |
| η | 0.0003616 | Pa×s | 373.29 | Calculated Property |
| η | 0.0003093 | Pa×s | 400.49 | Calculated Property |
| η | 0.0002699 | Pa×s | 427.70 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-cis-2-methylisopropylcyclopentane.
Sources
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