- InChI
- InChI=1S/C6H13Cl/c1-4-6(3,7)5-2/h4-5H2,1-3H3
- InChI Key
- SGWJUIFOPCZXMR-UHFFFAOYSA-N
- Formula
- C6H13Cl
- SMILES
- CCC(C)(Cl)CC
- Molecular Weight1
- 120.62
- CAS
- 918-84-3
- Other Names
-
- 1-Ethyl-1-methylpropyl chloride
- 3-Chloro-3-methylpentane
- 3-Methyl-3-chloropentane
- Diethylmethylcarbinyl chloride
- 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).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2704 | Relay (1.0) Calculated Property | |
| ΔfG° | -9.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -260.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 8.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.804 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [839.00; 841.00] |
|
|
| Inp | 840.00 | NIST | |
| Inp | 841.00 | NIST | |
| Inp | 839.00 | NIST | |
| I | [939.00; 956.00] |
|
|
| I | 944.00 | NIST | |
| I | 956.00 | NIST | |
| I | 939.00 | NIST | |
| I | 944.00 | NIST | |
| Tboil | 341.65 ± 3.00 | K | NIST |
| Tc | 573.34 | K | Relay (1.0) Calculated Property |
| Tfus | 199.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) 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 | 388.70 | K | 101.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [292.32; 423.13] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46439e+01 | |||
| Coefficient B | -3.48839e+03 | |||
| Coefficient C | -4.93340e+01 | |||
| Temperature range, min. | 292.32 | |||
| Temperature range, max. | 423.13 | |||
| Pvap | 1.33 | kPa | 292.32 | Calculated Property |
| Pvap | 3.00 | kPa | 306.85 | Calculated Property |
| Pvap | 6.18 | kPa | 321.39 | Calculated Property |
| Pvap | 11.84 | kPa | 335.92 | Calculated Property |
| Pvap | 21.31 | kPa | 350.46 | Calculated Property |
| Pvap | 36.33 | kPa | 364.99 | Calculated Property |
| Pvap | 59.10 | kPa | 379.53 | Calculated Property |
| Pvap | 92.26 | kPa | 394.06 | Calculated Property |
| Pvap | 138.94 | kPa | 408.60 | Calculated Property |
| Pvap | 202.67 | kPa | 423.13 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 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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