- InChI
- InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2
- InChI Key
- XVEASTGLHPVZNA-UHFFFAOYSA-N
- Formula
- C4H6Cl2
- SMILES
- C=CC(Cl)CCl
- Molecular Weight1
- 125.00
- CAS
- 760-23-6
- Other Names
-
- 1,2-DICHLORO-3-BUTENE
- 1,2-Dichlorobut-3-ene
- 3,4-DICHLORO-1-BUTENE
- 3,4-dichlorobut-1-ene
- 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.
- 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° | 44.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.21 | kJ/mol | Joback Calculated Property |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 2.019 | Crippen Calculated Property | |
| McVol | 87.400 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Inp | [763.00; 769.00] |
|
|
| Inp | 763.00 | NIST | |
| Inp | 769.00 | NIST | |
| Inp | 769.00 | NIST | |
| Tboil | [396.20; 427.00] | K |
|
| Tboil | 396.20 | K | NIST |
| Tboil | 427.00 ± 3.00 | K | NIST |
| Tc | 552.53 | K | Joback Calculated Property |
| Tfus | 212.00 ± 5.00 | K | NIST |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.34; 164.58] | J/mol×K | [362.02; 552.53] |
|
| Cp,gas | 128.34 | J/mol×K | 362.02 | Joback Calculated Property |
| Cp,gas | 135.22 | J/mol×K | 393.77 | Joback Calculated Property |
| Cp,gas | 141.75 | J/mol×K | 425.52 | Joback Calculated Property |
| Cp,gas | 147.94 | J/mol×K | 457.28 | Joback Calculated Property |
| Cp,gas | 153.80 | J/mol×K | 489.03 | Joback Calculated Property |
| Cp,gas | 159.34 | J/mol×K | 520.78 | Joback Calculated Property |
| Cp,gas | 164.58 | J/mol×K | 552.53 | Joback Calculated Property |
| η | [0.0003269; 0.0057370] | Pa×s | [177.92; 362.02] |
|
| η | 0.0057370 | Pa×s | 177.92 | Joback Calculated Property |
| η | 0.0025049 | Pa×s | 208.60 | Joback Calculated Property |
| η | 0.0013527 | Pa×s | 239.29 | Joback Calculated Property |
| η | 0.0008403 | Pa×s | 269.97 | Joback Calculated Property |
| η | 0.0005753 | Pa×s | 300.65 | Joback Calculated Property |
| η | 0.0004224 | Pa×s | 331.34 | Joback Calculated Property |
| η | 0.0003269 | Pa×s | 362.02 | Joback Calculated Property |
| ΔvapH | 38.00 | kJ/mol | 358.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [289.40; 422.78] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43660e+01 | |||
| Coefficient B | -3.38424e+03 | |||
| Coefficient C | -4.90140e+01 | |||
| Temperature range, min. | 289.40 | |||
| Temperature range, max. | 422.78 | |||
| Pvap | 1.33 | kPa | 289.40 | Calculated Property |
| Pvap | 3.02 | kPa | 304.22 | Calculated Property |
| Pvap | 6.25 | kPa | 319.04 | Calculated Property |
| Pvap | 12.00 | kPa | 333.86 | Calculated Property |
| Pvap | 21.60 | kPa | 348.68 | Calculated Property |
| Pvap | 36.77 | kPa | 363.50 | Calculated Property |
| Pvap | 59.68 | kPa | 378.32 | Calculated Property |
| Pvap | 92.91 | kPa | 393.14 | Calculated Property |
| Pvap | 139.45 | kPa | 407.96 | Calculated Property |
| Pvap | 202.66 | kPa | 422.78 | Calculated Property |
| Pvap | [3.18e-03; 3795.85] | kPa | [212.00; 589.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.43058e+01 | |||
| Coefficient B | -6.68656e+03 | |||
| Coefficient C | -7.22337e+00 | |||
| Coefficient D | 3.92607e-06 | |||
| Temperature range, min. | 212.00 | |||
| Temperature range, max. | 589.00 | |||
| Pvap | 3.18e-03 | kPa | 212.00 | Calculated Property |
| Pvap | 0.17 | kPa | 253.89 | Calculated Property |
| Pvap | 2.57 | kPa | 295.78 | Calculated Property |
| Pvap | 18.11 | kPa | 337.67 | Calculated Property |
| Pvap | 77.86 | kPa | 379.56 | Calculated Property |
| Pvap | 240.20 | kPa | 421.44 | Calculated Property |
| Pvap | 588.10 | kPa | 463.33 | Calculated Property |
| Pvap | 1221.12 | kPa | 505.22 | Calculated Property |
| Pvap | 2249.66 | kPa | 547.11 | Calculated Property |
| Pvap | 3795.85 | kPa | 589.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 3,4-dichloro-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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