- InChI
- InChI=1S/C9H18/c1-5-6-7-8-9(2,3)4/h7-8H,5-6H2,1-4H3/b8-7-
- InChI Key
- BQOCYCICSYUPRF-FPLPWBNLSA-N
- Formula
- C9H18
- SMILES
- CCC/C=C\C(C)(C)C
- 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 | 0.2996 | Relay (1.0) Calculated Property | |
| ΔfG° | 107.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 133.370 | ml/mol | McGowan Calculated Property |
| Pc | 2472.73 | kPa | Joback Calculated Property |
| Inp | [723.00; 726.00] |
|
|
| Inp | 723.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 726.00 | NIST | |
| Tboil | 390.20 | K | Relay (1.0) Calculated Property |
| Tc | 558.64 | K | Relay (1.0) Calculated Property |
| Tfus | 143.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.497 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.94; 454.53] | 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 | -4.39480e+01 | |||
| Coefficient B | 1.00468e+00 | |||
| Coefficient C | -7.21400e-04 | |||
| Coefficient D | 2.15200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 230.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 274.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 311.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 344.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 372.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 396.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 418.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 437.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 454.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0108529; 0.0002076] | Pa×s | [188.53; 412.21] |
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 | -1.18148e+01 | |||
| Coefficient B | 1.37466e+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. | 188.53 | |||
| Temperature range, max. | 412.21 | |||
| η | 0.0108529 | Pa×s | 188.53 | Calculated Property |
| η | 0.0046421 | Pa×s | 213.38 | Calculated Property |
| η | 0.0023705 | Pa×s | 238.24 | Calculated Property |
| η | 0.0013744 | Pa×s | 263.09 | Calculated Property |
| η | 0.0008755 | Pa×s | 287.94 | Calculated Property |
| η | 0.0005991 | Pa×s | 312.80 | Calculated Property |
| η | 0.0004335 | Pa×s | 337.65 | Calculated Property |
| η | 0.0003279 | Pa×s | 362.51 | Calculated Property |
| η | 0.0002571 | Pa×s | 387.36 | Calculated Property |
| η | 0.0002076 | Pa×s | 412.21 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-Hexene, 2,2-dimethyl.
Sources
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