- InChI
- InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6-
- InChI Key
- JPLZSSHKQZJYTJ-SREVYHEPSA-N
- Formula
- C8H16
- SMILES
- CCC=CC(C)(C)C
- Molecular Weight1
- 112.21
- CAS
- 690-92-6
- Other Names
-
- (Z)-2,2-Dimethyl-3-hexene
- (Z)-2,2-Dimethylhex-3-ene
- 2,2-Dimethyl-3-hexene (cis)
- 2,2-Dimethyl-cis-3-hexene
- cis-2,2-Dimethyl-3-hexene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor 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 | 0.2493 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-5308.30; -5288.45] | kJ/mol |
|
| ΔcH°liquid | -5298.40 ± 1.50 | kJ/mol | NIST |
| ΔcH°liquid | -5288.45 ± 0.71 | kJ/mol | NIST |
| ΔcH°liquid | -5308.30 ± 2.50 | kJ/mol | NIST |
| ΔfG° | 99.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -96.60 | kJ/mol | NIST |
| ΔfH°liquid | -136.40 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 9.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [37.10; 37.20] | kJ/mol |
|
| ΔvapH° | 37.20 | kJ/mol | NIST |
| ΔvapH° | 37.10 | kJ/mol | NIST |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2726.86 | kPa | Joback Calculated Property |
| Inp | [714.00; 724.70] |
|
|
| Inp | 723.60 | NIST | |
| Inp | 714.50 | NIST | |
| Inp | 723.20 | NIST | |
| Inp | 724.70 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 718.70 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 715.20 | NIST | |
| Inp | 716.10 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 719.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 722.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 723.60 | NIST | |
| Inp | 718.70 | NIST | |
| Inp | 717.00 | NIST | |
| Tboil | [378.70; 379.00] | K |
|
| Tboil | 378.70 | K | NIST |
| Tboil | 379.00 ± 0.50 | K | NIST |
| Tboil | 378.95 ± 0.60 | K | NIST |
| Tc | 536.41 | K | Relay (1.0) Calculated Property |
| Tfus | [135.76; 135.80] | K |
|
| Tfus | 135.76 ± 0.07 | K | NIST |
| Tfus | 135.77 ± 0.05 | K | NIST |
| Tfus | 135.80 ± 0.03 | K | NIST |
| Tfus | 135.77 ± 0.06 | K | NIST |
| Tfus | 135.80 ± 0.03 | K | NIST |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [35.30; 36.10] | kJ/mol | [342.00; 349.50] |
|
| ΔvapH | 36.10 | kJ/mol | 342.00 | NIST |
| ΔvapH | 35.30 | kJ/mol | 349.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.73; 402.94] | 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 | -4.30390e+01 | |||
| Coefficient B | 9.09680e-01 | |||
| Coefficient C | -6.67000e-04 | |||
| Coefficient D | 2.03300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 159.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 243.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 276.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 305.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 330.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 351.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 370.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 387.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 402.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0999707; 0.0002019] | Pa×s | [135.78; 396.95] |
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 | -1.17336e+01 | |||
| Coefficient B | 1.28050e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 135.78 | |||
| Temperature range, max. | 396.95 | |||
| η | 0.0999707 | Pa×s | 135.78 | Calculated Property |
| η | 0.0189966 | Pa×s | 164.80 | Calculated Property |
| η | 0.0059352 | Pa×s | 193.82 | Calculated Property |
| η | 0.0025107 | Pa×s | 222.84 | Calculated Property |
| η | 0.0012949 | Pa×s | 251.86 | Calculated Property |
| η | 0.0007658 | Pa×s | 280.87 | Calculated Property |
| η | 0.0004997 | Pa×s | 309.89 | Calculated Property |
| η | 0.0003508 | Pa×s | 338.91 | Calculated Property |
| η | 0.0002604 | Pa×s | 367.93 | Calculated Property |
| η | 0.0002019 | Pa×s | 396.95 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [275.16; 405.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37491e+01 | |||
| Coefficient B | -2.93879e+03 | |||
| Coefficient C | -5.68450e+01 | |||
| Temperature range, min. | 275.16 | |||
| Temperature range, max. | 405.14 | |||
| Pvap | 1.33 | kPa | 275.16 | Calculated Property |
| Pvap | 3.07 | kPa | 289.60 | Calculated Property |
| Pvap | 6.43 | kPa | 304.04 | Calculated Property |
| Pvap | 12.39 | kPa | 318.49 | Calculated Property |
| Pvap | 22.30 | kPa | 332.93 | Calculated Property |
| Pvap | 37.85 | kPa | 347.37 | Calculated Property |
| Pvap | 61.11 | kPa | 361.81 | Calculated Property |
| Pvap | 94.49 | kPa | 376.26 | Calculated Property |
| Pvap | 140.68 | kPa | 390.70 | Calculated Property |
| Pvap | 202.65 | kPa | 405.14 | Calculated Property |
| Pvap | [6.90; 100.07] | kPa | [305.15; 378.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 9.78581e+01 | |||
| Coefficient B | -7.67064e+03 | |||
| Coefficient C | -1.25413e+01 | |||
| Coefficient D | 1.02697e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 305.15 | |||
| Temperature range, max. | 378.15 | |||
| Pvap | 6.90 | kPa | 305.15 | Calculated Property |
| Pvap | 10.02 | kPa | 313.26 | Calculated Property |
| Pvap | 14.22 | kPa | 321.37 | Calculated Property |
| Pvap | 19.76 | kPa | 329.48 | Calculated Property |
| Pvap | 26.94 | kPa | 337.59 | Calculated Property |
| Pvap | 36.09 | kPa | 345.71 | Calculated Property |
| Pvap | 47.56 | kPa | 353.82 | Calculated Property |
| Pvap | 61.76 | kPa | 361.93 | Calculated Property |
| Pvap | 79.11 | kPa | 370.04 | Calculated Property |
| Pvap | 100.07 | kPa | 378.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene, 2,2-dimethyl-, (Z)-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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