- InChI
- InChI=1S/C7H15Cl/c1-4-6-7(3,8)5-2/h4-6H2,1-3H3
- InChI Key
- UTKDCNDVTOWUHW-UHFFFAOYSA-N
- Formula
- C7H15Cl
- SMILES
- CCCC(C)(Cl)CC
- Molecular Weight1
- 134.65
- CAS
- 43197-78-0
- Other Names
-
- 3-Chloro-3-methylhexane
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.3088 | Relay (... Calculated Property | |
| ΔfG° | -1.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.59 | kJ/mol | Relay (... Calculated Property |
| IE | 9.81 | eV | Relay (... Calculated Property |
| log10WS | -3.57 | Relay (... Calculated Property | |
| logPoct/wat | 3.194 | Crippen Calculated Property | |
| McVol | 121.730 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| Tboil | 395.77 | K | Relay (... Calculated Property |
| Tc | 595.80 | K | Relay (... Calculated Property |
| Tfus | 179.16 | K | Relay (... Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.71; 293.88] | J/mol×K | [393.76; 576.83] | 
|
| Cp,gas | 224.71 | J/mol×K | 393.76 | Joback Calculated Property |
| Cp,gas | 237.80 | J/mol×K | 424.27 | Joback Calculated Property |
| Cp,gas | 250.23 | J/mol×K | 454.78 | Joback Calculated Property |
| Cp,gas | 262.03 | J/mol×K | 485.29 | Joback Calculated Property |
| Cp,gas | 273.22 | J/mol×K | 515.80 | Joback Calculated Property |
| Cp,gas | 283.83 | J/mol×K | 546.32 | Joback Calculated Property |
| Cp,gas | 293.88 | J/mol×K | 576.83 | Joback Calculated Property |
| η | [0.0003185; 0.0092120] | Pa×s | [200.99; 393.76] |
|
| η | 0.0092120 | Pa×s | 200.99 | Joback Calculated Property |
| η | 0.0035725 | Pa×s | 233.12 | Joback Calculated Property |
| η | 0.0017428 | Pa×s | 265.25 | Joback Calculated Property |
| η | 0.0009928 | Pa×s | 297.38 | Joback Calculated Property |
| η | 0.0006312 | Pa×s | 329.50 | Joback Calculated Property |
| η | 0.0004349 | Pa×s | 361.63 | Joback Calculated Property |
| η | 0.0003185 | Pa×s | 393.76 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [307.52; 455.49] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38983e+01 | |||
| Coefficient B | -3.44222e+03 | |||
| Coefficient C | -5.46160e+01 | |||
| Temperature range, min. | 307.52 | |||
| Temperature range, max. | 455.49 | |||
| Pvap | 1.33 | kPa | 307.52 | Calculated Property |
| Pvap | 3.06 | kPa | 323.96 | Calculated Property |
| Pvap | 6.38 | kPa | 340.40 | Calculated Property |
| Pvap | 12.29 | kPa | 356.84 | Calculated Property |
| Pvap | 22.12 | kPa | 373.28 | Calculated Property |
| Pvap | 37.58 | kPa | 389.73 | Calculated Property |
| Pvap | 60.75 | kPa | 406.17 | Calculated Property |
| Pvap | 94.09 | kPa | 422.61 | Calculated Property |
| Pvap | 140.38 | kPa | 439.05 | Calculated Property |
| Pvap | 202.67 | kPa | 455.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3-chloro-3-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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