- InChI
- InChI=1S/C5H10Cl2/c1-4(2)3-5(6)7/h4-5H,3H2,1-2H3
- InChI Key
- VXEMJASOVHTHLL-UHFFFAOYSA-N
- Formula
- C5H10Cl2
- SMILES
- CC(C)CC(Cl)Cl
- Molecular Weight1
- 141.04
- CAS
- 625-66-1
- Other Names
-
- 1,1-Dichloro-3-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).
- 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 |
|---|---|---|---|
| ΔfG° | -37.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.836 | Crippen Calculated Property | |
| McVol | 105.790 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | [400.65; 403.85] | K |
|
| Tboil | 402.75 ± 0.50 | K | NIST |
| Tboil | 400.65 ± 3.00 | K | NIST |
| Tboil | 401.00 ± 3.00 | K | NIST |
| Tboil | 403.85 ± 2.00 | K | NIST |
| Tc | 577.75 | K | Joback Calculated Property |
| Tfus | 175.95 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.68; 226.08] | J/mol×K | [387.78; 577.75] |
|
| Cp,gas | 175.68 | J/mol×K | 387.78 | Joback Calculated Property |
| Cp,gas | 185.11 | J/mol×K | 419.44 | Joback Calculated Property |
| Cp,gas | 194.11 | J/mol×K | 451.10 | Joback Calculated Property |
| Cp,gas | 202.69 | J/mol×K | 482.77 | Joback Calculated Property |
| Cp,gas | 210.87 | J/mol×K | 514.43 | Joback Calculated Property |
| Cp,gas | 218.66 | J/mol×K | 546.09 | Joback Calculated Property |
| Cp,gas | 226.08 | J/mol×K | 577.75 | Joback Calculated Property |
| η | [0.0003189; 0.0132129] | Pa×s | [175.95; 387.78] |
|
| η | 0.0132129 | Pa×s | 175.95 | Joback Calculated Property |
| η | 0.0042286 | Pa×s | 211.25 | Joback Calculated Property |
| η | 0.0018754 | Pa×s | 246.56 | Joback Calculated Property |
| η | 0.0010197 | Pa×s | 281.87 | Joback Calculated Property |
| η | 0.0006349 | Pa×s | 317.17 | Joback Calculated Property |
| η | 0.0004347 | Pa×s | 352.48 | Joback Calculated Property |
| η | 0.0003189 | Pa×s | 387.78 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [302.05; 428.80] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.34681e+01 | |||
| Coefficient B | -2.71235e+03 | |||
| Coefficient C | -9.62620e+01 | |||
| Temperature range, min. | 302.05 | |||
| Temperature range, max. | 428.80 | |||
| Pvap | 1.33 | kPa | 302.05 | Calculated Property |
| Pvap | 3.10 | kPa | 316.13 | Calculated Property |
| Pvap | 6.52 | kPa | 330.22 | Calculated Property |
| Pvap | 12.59 | kPa | 344.30 | Calculated Property |
| Pvap | 22.66 | kPa | 358.38 | Calculated Property |
| Pvap | 38.40 | kPa | 372.47 | Calculated Property |
| Pvap | 61.83 | kPa | 386.55 | Calculated Property |
| Pvap | 95.28 | kPa | 400.63 | Calculated Property |
| Pvap | 141.30 | kPa | 414.72 | Calculated Property |
| Pvap | 202.67 | kPa | 428.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1,1-dichloro-3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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