- InChI
- InChI=1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
- InChI Key
- IWAKWOFEHSYKSI-UHFFFAOYSA-N
- Formula
- C5H11Cl
- SMILES
- CCC(C)CCl
- Molecular Weight1
- 106.59
- CAS
- 616-13-7
- Other Names
-
- (dl) 1-chloro-2-methylbutane
- 1-Chloro-2-methylbutane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | -23.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.72 | kJ/mol | Joback Calculated Property |
| log10WS | -1.83 | Crippen 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 | [696.00; 718.00] |
|
|
| Inp | 718.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 699.00 | NIST | |
| I | [891.00; 900.00] |
|
|
| I | 898.00 | NIST | |
| I | 900.00 | NIST | |
| I | 891.00 | NIST | |
| Tboil | [370.35; 373.15] | K |
|
| Tboil | 373.05 ± 0.60 | K | NIST |
| Tboil | 373.15 ± 0.60 | K | NIST |
| Tboil | 370.35 ± 3.00 | K | NIST |
| Tc | 527.49 | K | Joback Calculated Property |
| Tfus | 161.03 | K | Joback Calculated Property |
| Vc | 0.358 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.99; 201.54] | J/mol×K | [350.79; 527.49] |
|
| Cp,gas | 150.99 | J/mol×K | 350.79 | Joback Calculated Property |
| Cp,gas | 160.28 | J/mol×K | 380.24 | Joback Calculated Property |
| Cp,gas | 169.22 | J/mol×K | 409.69 | Joback Calculated Property |
| Cp,gas | 177.80 | J/mol×K | 439.14 | Joback Calculated Property |
| Cp,gas | 186.05 | J/mol×K | 468.59 | Joback Calculated Property |
| Cp,gas | 193.96 | J/mol×K | 498.04 | Joback Calculated Property |
| Cp,gas | 201.54 | J/mol×K | 527.49 | Joback Calculated Property |
| η | [0.0002823; 0.0078623] | Pa×s | [161.03; 350.79] |
|
| η | 0.0078623 | Pa×s | 161.03 | Joback Calculated Property |
| η | 0.0028647 | Pa×s | 192.66 | Joback Calculated Property |
| η | 0.0013876 | Pa×s | 224.28 | Joback Calculated Property |
| η | 0.0008040 | Pa×s | 255.91 | Joback Calculated Property |
| η | 0.0005253 | Pa×s | 287.54 | Joback Calculated Property |
| η | 0.0003734 | Pa×s | 319.16 | Joback Calculated Property |
| η | 0.0002823 | Pa×s | 350.79 | Joback Calculated Property |
| ΔvapH | 35.40 | kJ/mol | 337.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [279.95; 395.26] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55462e+01 | |||
| Coefficient B | -3.58448e+03 | |||
| Coefficient C | -4.50360e+01 | |||
| Temperature range, min. | 279.95 | |||
| Temperature range, max. | 395.26 | |||
| Pvap | 1.33 | kPa | 279.95 | Calculated Property |
| Pvap | 2.93 | kPa | 292.76 | Calculated Property |
| Pvap | 5.98 | kPa | 305.57 | Calculated Property |
| Pvap | 11.39 | kPa | 318.39 | Calculated Property |
| Pvap | 20.49 | kPa | 331.20 | Calculated Property |
| Pvap | 35.06 | kPa | 344.01 | Calculated Property |
| Pvap | 57.37 | kPa | 356.82 | Calculated Property |
| Pvap | 90.32 | kPa | 369.64 | Calculated Property |
| Pvap | 137.37 | kPa | 382.45 | Calculated Property |
| Pvap | 202.62 | kPa | 395.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-chloro-2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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