- InChI
- InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3
- InChI Key
- XGCKOSFYXBAPQM-UHFFFAOYSA-N
- Formula
- C6H13Cl
- SMILES
- CC(C)(C)CCCl
- Molecular Weight1
- 120.62
- CAS
- 2855-08-5
- Other Names
-
- 1-Chloro-3,3-dimethylbutane
- Neohexyl chloride
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -9.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -191.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.04 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [831.00; 841.00] |
|
|
| Inp | 832.00 | NIST | |
| Inp | 841.00 | NIST | |
| Inp | 831.00 | NIST | |
| I | [936.00; 945.00] |
|
|
| I | 936.00 | NIST | |
| I | 945.00 | NIST | |
| I | 936.00 | NIST | |
| I | 936.00 | NIST | |
| Tboil | [388.15; 391.15] | K |
|
| Tboil | 388.20 | K | NIST |
| Tboil | 391.15 ± 3.00 | K | NIST |
| Tboil | 390.65 ± 3.00 | K | NIST |
| Tboil | 388.15 ± 3.00 | K | NIST |
| Tc | 554.85 | K | Joback Calculated Property |
| Tfus | 189.72 | K | Joback Calculated Property |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.00; 249.61] | J/mol×K | [370.88; 554.85] |
|
| Cp,gas | 187.00 | J/mol×K | 370.88 | Joback Calculated Property |
| Cp,gas | 198.88 | J/mol×K | 401.54 | Joback Calculated Property |
| Cp,gas | 210.15 | J/mol×K | 432.20 | Joback Calculated Property |
| Cp,gas | 220.83 | J/mol×K | 462.87 | Joback Calculated Property |
| Cp,gas | 230.95 | J/mol×K | 493.53 | Joback Calculated Property |
| Cp,gas | 240.54 | J/mol×K | 524.19 | Joback Calculated Property |
| Cp,gas | 249.61 | J/mol×K | 554.85 | Joback Calculated Property |
| η | [0.0003353; 0.0092209] | Pa×s | [189.72; 370.88] |
|
| η | 0.0092209 | Pa×s | 189.72 | Joback Calculated Property |
| η | 0.0036325 | Pa×s | 219.91 | Joback Calculated Property |
| η | 0.0017919 | Pa×s | 250.11 | Joback Calculated Property |
| η | 0.0010293 | Pa×s | 280.30 | Joback Calculated Property |
| η | 0.0006585 | Pa×s | 310.49 | Joback Calculated Property |
| η | 0.0004561 | Pa×s | 340.69 | Joback Calculated Property |
| η | 0.0003353 | Pa×s | 370.88 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 314.20 | K | 6.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [293.12; 410.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57097e+01 | |||
| Coefficient B | -3.75542e+03 | |||
| Coefficient C | -4.96120e+01 | |||
| Temperature range, min. | 293.12 | |||
| Temperature range, max. | 410.77 | |||
| Pvap | 1.33 | kPa | 293.12 | Calculated Property |
| Pvap | 2.93 | kPa | 306.19 | Calculated Property |
| Pvap | 5.95 | kPa | 319.26 | Calculated Property |
| Pvap | 11.32 | kPa | 332.34 | Calculated Property |
| Pvap | 20.36 | kPa | 345.41 | Calculated Property |
| Pvap | 34.85 | kPa | 358.48 | Calculated Property |
| Pvap | 57.10 | kPa | 371.55 | Calculated Property |
| Pvap | 90.01 | kPa | 384.63 | Calculated Property |
| Pvap | 137.13 | kPa | 397.70 | Calculated Property |
| Pvap | 202.64 | kPa | 410.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-chloro-3,3-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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