- InChI
- InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3
- InChI Key
- RMISVOPUIFJTEO-UHFFFAOYSA-N
- Formula
- C4H8Cl2
- SMILES
- CC(Cl)C(C)Cl
- Molecular Weight1
- 127.01
- CAS
- 7581-97-7
- Other Names
-
- 2,3-Dichlorobutane
- D,l-2,3-dichlorobutane
- 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).
- 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.
- 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 | 0.2879 | Relay (1.0) Calculated Property | |
| ΔfG° | -45.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Aq. Solubility Prediction | |
| logPoct/wat | 2.241 | Crippen Calculated Property | |
| McVol | 91.700 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Inp | [761.00; 763.00] |
|
|
| Inp | 763.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Inp | 761.00 | NIST | |
| Tboil | [386.15; 392.70] | K |
|
| Tboil | 391.20 | K | NIST |
| Tboil | 386.15 ± 3.00 | K | NIST |
| Tboil | 389.50 ± 1.00 | K | NIST |
| Tboil | 391.15 ± 2.00 | K | NIST |
| Tboil | 389.00 ± 3.00 | K | NIST |
| Tboil | 392.65 ± 0.60 | K | NIST |
| Tboil | 392.70 ± 1.00 | K | NIST |
| Tboil | 389.15 ± 2.00 | K | NIST |
| Tc | 584.44 | K | Relay (1.0) Calculated Property |
| Tfus | 193.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 39.60 | kJ/mol | 318.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.52; 243.31] | 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 | 2.16700e+01 | |||
| Coefficient B | 4.09240e-01 | |||
| Coefficient C | -2.41000e-04 | |||
| Coefficient D | 5.34000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 116.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 138.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 158.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 175.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 191.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 204.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 216.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 226.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 235.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 243.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048591; 0.0002717] | Pa×s | [193.15; 389.35] |
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 | -1.10497e+01 | |||
| Coefficient B | 1.10536e+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. | 193.15 | |||
| Temperature range, max. | 389.35 | |||
| η | 0.0048591 | Pa×s | 193.15 | Calculated Property |
| η | 0.0027195 | Pa×s | 214.95 | Calculated Property |
| η | 0.0016938 | Pa×s | 236.75 | Calculated Property |
| η | 0.0011426 | Pa×s | 258.55 | Calculated Property |
| η | 0.0008194 | Pa×s | 280.35 | Calculated Property |
| η | 0.0006166 | Pa×s | 302.15 | Calculated Property |
| η | 0.0004820 | Pa×s | 323.95 | Calculated Property |
| η | 0.0003887 | Pa×s | 345.75 | Calculated Property |
| η | 0.0003216 | Pa×s | 367.55 | Calculated Property |
| η | 0.0002717 | Pa×s | 389.35 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 100.92] | kPa | [248.00; 389.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43362e+01 | |||
| Coefficient B | -3.38547e+03 | |||
| Coefficient C | -4.07670e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 248.00 | |||
| Temperature range, max. | 389.00 | |||
| Pvap | 0.14 | kPa | 248.00 | Calculated Property |
| Pvap | 0.43 | kPa | 263.67 | Calculated Property |
| Pvap | 1.16 | kPa | 279.33 | Calculated Property |
| Pvap | 2.77 | kPa | 295.00 | Calculated Property |
| Pvap | 6.01 | kPa | 310.67 | Calculated Property |
| Pvap | 11.95 | kPa | 326.33 | Calculated Property |
| Pvap | 22.14 | kPa | 342.00 | Calculated Property |
| Pvap | 38.60 | kPa | 357.67 | Calculated Property |
| Pvap | 63.84 | kPa | 373.33 | Calculated Property |
| Pvap | 100.92 | kPa | 389.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2,3-dichloro-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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