- 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.
- Ip : 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° | 37.46 | 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 | |
| Ip | [939.00; 956.00] |
|
|
| Ip | 944.00 | NIST | |
| Ip | 956.00 | NIST | |
| Ip | 939.00 | NIST | |
| Ip | 944.00 | NIST | |
| Tboil | 341.65 ± 3.00 | K | NIST |
| Tc | 528.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tfus | 190.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) 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 |
|---|---|---|---|---|
| Cp,gas | [144.71; 338.61] | 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 | -1.41480e+01 | |||
| Coefficient B | 7.06460e-01 | |||
| Coefficient C | -4.94800e-04 | |||
| Coefficient D | 1.41100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 261.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 281.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 298.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 313.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 326.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 338.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0092209; 0.0003393] | Pa×s | [189.72; 369.60] |
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 | -1.14713e+01 | |||
| Coefficient B | 1.28726e+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. | 189.72 | |||
| Temperature range, max. | 369.60 | |||
| η | 0.0092209 | Pa×s | 189.72 | Calculated Property |
| η | 0.0048298 | Pa×s | 209.71 | Calculated Property |
| η | 0.0028311 | Pa×s | 229.69 | Calculated Property |
| η | 0.0018077 | Pa×s | 249.68 | Calculated Property |
| η | 0.0012336 | Pa×s | 269.67 | Calculated Property |
| η | 0.0008874 | Pa×s | 289.65 | Calculated Property |
| η | 0.0006661 | Pa×s | 309.64 | Calculated Property |
| η | 0.0005177 | Pa×s | 329.63 | Calculated Property |
| η | 0.0004141 | Pa×s | 349.61 | Calculated Property |
| η | 0.0003393 | Pa×s | 369.60 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [292.32; 423.13] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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