- InChI
- InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H,1,6H2,2-4H3
- InChI Key
- TXBZITDWMURSEF-UHFFFAOYSA-N
- Formula
- C7H14
- SMILES
- C=CC(C)(C)CC
- Molecular Weight1
- 98.19
- CAS
- 3404-73-7
- Other Names
-
- 3,3-Dimethyl-1-pentene
- 3,3-dimethylpent-1-ene
- 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).
- 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 | 0.2075 | Relay (1.0) Calculated Property | |
| ΔfG° | 98.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -85.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.50 | kJ/mol | NIST |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Inp | [617.00; 635.00] |
|
|
| Inp | 630.10 | NIST | |
| Inp | 623.70 | NIST | |
| Inp | 624.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 633.00 | NIST | |
| Inp | 635.00 | NIST | |
| Inp | 631.60 | NIST | |
| Inp | 633.80 | NIST | |
| Inp | 626.40 | NIST | |
| Inp | 628.80 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 628.40 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 629.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 624.00 | NIST | |
| Inp | 627.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 621.00 | NIST | |
| Inp | 632.80 | NIST | |
| Inp | 624.80 | NIST | |
| Inp | 628.00 | NIST | |
| Inp | Outlier 617.00 | NIST | |
| Inp | 626.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 630.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | Outlier 617.00 | NIST | |
| Tboil | [350.05; 350.70] | K |
|
| Tboil | 350.70 | K | NIST |
| Tboil | 350.69 ± 0.30 | K | NIST |
| Tboil | 350.70 ± 0.40 | K | NIST |
| Tboil | 350.69 ± 0.30 | K | NIST |
| Tboil | 350.05 ± 0.60 | K | NIST |
| Tboil | 350.25 ± 0.50 | K | NIST |
| Tboil | 350.05 ± 0.50 | K | NIST |
| Tboil | 350.05 ± 0.60 | K | NIST |
| Tc | 529.95 | K | Relay (1.0) Calculated Property |
| Tfus | [138.74; 139.00] | K |
|
| Tfus | 139.00 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 138.74 ± 0.04 | K | NIST |
| Tfus | 138.74 ± 0.03 | K | NIST |
| Tfus | 138.77 ± 0.02 | K | NIST |
| Vc | 0.385 | 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 | 33.00 | kJ/mol | 340.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.71; 353.42] | 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 | -3.09390e+01 | |||
| Coefficient B | 7.74660e-01 | |||
| Coefficient C | -5.51700e-04 | |||
| Coefficient D | 1.61400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 214.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 243.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 268.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 290.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 309.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 325.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 340.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 353.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0408846; 0.0002321] | Pa×s | [138.81; 372.14] |
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 | -1.14451e+01 | |||
| Coefficient B | 1.14494e+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. | 138.81 | |||
| Temperature range, max. | 372.14 | |||
| η | 0.0408846 | Pa×s | 138.81 | Calculated Property |
| η | 0.0111644 | Pa×s | 164.74 | Calculated Property |
| η | 0.0043392 | Pa×s | 190.66 | Calculated Property |
| η | 0.0021147 | Pa×s | 216.59 | Calculated Property |
| η | 0.0012018 | Pa×s | 242.51 | Calculated Property |
| η | 0.0007617 | Pa×s | 268.44 | Calculated Property |
| η | 0.0005232 | Pa×s | 294.36 | Calculated Property |
| η | 0.0003819 | Pa×s | 320.29 | Calculated Property |
| η | 0.0002922 | Pa×s | 346.21 | Calculated Property |
| η | 0.0002321 | Pa×s | 372.14 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [255.41; 375.12] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.35929e+01 | |||
| Coefficient B | -2.62548e+03 | |||
| Coefficient C | -5.80820e+01 | |||
| Temperature range, min. | 255.41 | |||
| Temperature range, max. | 375.12 | |||
| Pvap | 1.33 | kPa | 255.41 | Calculated Property |
| Pvap | 3.09 | kPa | 268.71 | Calculated Property |
| Pvap | 6.48 | kPa | 282.01 | Calculated Property |
| Pvap | 12.50 | kPa | 295.31 | Calculated Property |
| Pvap | 22.49 | kPa | 308.61 | Calculated Property |
| Pvap | 38.15 | kPa | 321.92 | Calculated Property |
| Pvap | 61.51 | kPa | 335.22 | Calculated Property |
| Pvap | 94.92 | kPa | 348.52 | Calculated Property |
| Pvap | 141.02 | kPa | 361.82 | Calculated Property |
| Pvap | 202.67 | kPa | 375.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentene, 3,3-dimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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