- InChI
- InChI=1S/C5H11Cl/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
- InChI Key
- CZHLPWNZCJEPJB-UHFFFAOYSA-N
- Formula
- C5H11Cl
- SMILES
- CC(C)CCCl
- Molecular Weight1
- 106.59
- CAS
- 107-84-6
- Other Names
-
- 1-Chloro-3,3-dimethylpropane
- 1-Chloro-3-methylbutane
- 3-Methylbutyl chloride
- 4-Chloro-2-methylbutane
- Isoamyl chloride
- Isopentyl chloride
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.2912 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3355.40 ± 4.20 | kJ/mol | NIST |
| ΔfG° | -23.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.00 ± 8.80 | kJ/mol | NIST |
| ΔfH°liquid | -208.00 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.20; 38.10] | kJ/mol |
|
| ΔvapH° | 36.33 | kJ/mol | NIST |
| ΔvapH° | 38.10 | kJ/mol | NIST |
| ΔvapH° | 36.24 | kJ/mol | NIST |
| ΔvapH° | 36.20 | kJ/mol | NIST |
| ΔvapH° | 37.00 ± 1.00 | kJ/mol | NIST |
| IE | 10.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.271 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Inp | [687.00; 723.00] |
|
|
| Inp | 696.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | Outlier 723.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 706.00 | NIST | |
| I | [880.00; 900.00] |
|
|
| I | 880.00 | NIST | |
| I | 900.00 | NIST | |
| I | 886.00 | NIST | |
| I | 880.00 | NIST | |
| Tboil | [371.25; 373.00] | K |
|
| Tboil | 372.00 | K | NIST |
| Tboil | 372.55 ± 0.25 | K | NIST |
| Tboil | Outlier 371.25 ± 1.00 | K | NIST |
| Tboil | 372.50 ± 0.60 | K | NIST |
| Tboil | 373.00 ± 0.50 | K | NIST |
| Tboil | 372.40 ± 2.00 | K | NIST |
| Tboil | 372.30 ± 0.15 | K | NIST |
| Tc | 560.00 | K | NIST |
| Tfus | 147.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.338 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.05; 201.62] | J/mol×K | [350.99; 527.79] |
|
| Cp,gas | 151.05 | J/mol×K | 350.99 | Joback Calculated Property |
| Cp,gas | 160.35 | J/mol×K | 380.46 | Joback Calculated Property |
| Cp,gas | 169.29 | J/mol×K | 409.92 | Joback Calculated Property |
| Cp,gas | 177.87 | J/mol×K | 439.39 | Joback Calculated Property |
| Cp,gas | 186.12 | J/mol×K | 468.86 | Joback Calculated Property |
| Cp,gas | 194.03 | J/mol×K | 498.32 | Joback Calculated Property |
| Cp,gas | 201.62 | J/mol×K | 527.79 | Joback Calculated Property |
| Cp,liquid | [179.00; 184.00] | J/mol×K | [310.00; 330.00] |
|
| Cp,liquid | 179.00 | J/mol×K | 310.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 182.00 | J/mol×K | 320.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 184.00 | J/mol×K | 330.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| η | [0.0002818; 0.0078623] | Pa×s | [161.03; 350.99] |
|
| η | 0.0078623 | Pa×s | 161.03 | Joback Calculated Property |
| η | 0.0028621 | Pa×s | 192.69 | Joback Calculated Property |
| η | 0.0013858 | Pa×s | 224.35 | Joback Calculated Property |
| η | 0.0008028 | Pa×s | 256.01 | Joback Calculated Property |
| η | 0.0005244 | Pa×s | 287.67 | Joback Calculated Property |
| η | 0.0003728 | Pa×s | 319.33 | Joback Calculated Property |
| η | 0.0002818 | Pa×s | 350.99 | Joback Calculated Property |
| ΔvapH | [32.02; 35.40] | kJ/mol | [313.00; 372.00] |
|
| ΔvapH | 35.40 | kJ/mol | 313.00 | NIST |
| ΔvapH | 34.60 | kJ/mol | 328.00 | NIST |
| ΔvapH | 33.70 | kJ/mol | 343.00 | NIST |
| ΔvapH | 32.80 | kJ/mol | 358.00 | NIST |
| ΔvapH | 32.30 | kJ/mol | 368.00 | NIST |
| ΔvapH | 32.02 | kJ/mol | 372.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [278.33; 394.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54302e+01 | |||
| Coefficient B | -3.54120e+03 | |||
| Coefficient C | -4.44710e+01 | |||
| Temperature range, min. | 278.33 | |||
| Temperature range, max. | 394.44 | |||
| Pvap | 1.33 | kPa | 278.33 | Calculated Property |
| Pvap | 2.94 | kPa | 291.23 | Calculated Property |
| Pvap | 6.00 | kPa | 304.13 | Calculated Property |
| Pvap | 11.45 | kPa | 317.03 | Calculated Property |
| Pvap | 20.60 | kPa | 329.93 | Calculated Property |
| Pvap | 35.22 | kPa | 342.84 | Calculated Property |
| Pvap | 57.59 | kPa | 355.74 | Calculated Property |
| Pvap | 90.58 | kPa | 368.64 | Calculated Property |
| Pvap | 137.59 | kPa | 381.54 | Calculated Property |
| Pvap | 202.67 | kPa | 394.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-chloro-3-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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