- InChI
- InChI=1S/C4H7Cl3/c1-3(6)4(7)2-5/h3-4H,2H2,1H3
- InChI Key
- RMZZAEDPBSKZOM-UHFFFAOYSA-N
- Formula
- C4H7Cl3
- SMILES
- CC(Cl)C(Cl)CCl
- Molecular Weight1
- 161.46
- CAS
- 18338-40-4
- 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).
- 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 | 0.3092 | Relay (1.0) Calculated Property | |
| ΔfG° | -57.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.460 | Crippen Calculated Property | |
| McVol | 103.940 | ml/mol | McGowan Calculated Property |
| Pc | 3472.45 | kPa | Joback Calculated Property |
| Tboil | 439.15 ± 1.50 | K | NIST |
| Tc | 656.81 | K | Relay (1.0) Calculated Property |
| Tfus | 242.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 41.30 | kJ/mol | 357.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.92; 251.58] | 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 | 3.45610e+01 | |||
| Coefficient B | 4.16020e-01 | |||
| Coefficient C | -2.61400e-04 | |||
| Coefficient D | 6.24000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 129.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 151.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 171.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 188.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 202.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 215.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 226.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 236.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 244.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 251.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0106392; 0.0003112] | Pa×s | [194.60; 421.54] |
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 | -1.11037e+01 | |||
| Coefficient B | 1.27668e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 194.60 | |||
| Temperature range, max. | 421.54 | |||
| η | 0.0106392 | Pa×s | 194.60 | Calculated Property |
| η | 0.0050126 | Pa×s | 219.82 | Calculated Property |
| η | 0.0027573 | Pa×s | 245.03 | Calculated Property |
| η | 0.0016957 | Pa×s | 270.25 | Calculated Property |
| η | 0.0011331 | Pa×s | 295.46 | Calculated Property |
| η | 0.0008067 | Pa×s | 320.68 | Calculated Property |
| η | 0.0006035 | Pa×s | 345.90 | Calculated Property |
| η | 0.0004696 | Pa×s | 371.11 | Calculated Property |
| η | 0.0003773 | Pa×s | 396.33 | Calculated Property |
| η | 0.0003112 | Pa×s | 421.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [328.82; 465.92] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50433e+01 | |||
| Coefficient B | -3.91890e+03 | |||
| Coefficient C | -6.32340e+01 | |||
| Temperature range, min. | 328.82 | |||
| Temperature range, max. | 465.92 | |||
| Pvap | 1.33 | kPa | 328.82 | Calculated Property |
| Pvap | 2.97 | kPa | 344.05 | Calculated Property |
| Pvap | 6.09 | kPa | 359.29 | Calculated Property |
| Pvap | 11.63 | kPa | 374.52 | Calculated Property |
| Pvap | 20.93 | kPa | 389.75 | Calculated Property |
| Pvap | 35.74 | kPa | 404.99 | Calculated Property |
| Pvap | 58.30 | kPa | 420.22 | Calculated Property |
| Pvap | 91.36 | kPa | 435.45 | Calculated Property |
| Pvap | 138.21 | kPa | 450.69 | Calculated Property |
| Pvap | 202.63 | kPa | 465.92 | Calculated Property |
| Pvap | [0.13; 100.73] | kPa | [273.70; 442.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37559e+01 | |||
| Coefficient B | -3.66182e+03 | |||
| Coefficient C | -4.15120e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 273.70 | |||
| Temperature range, max. | 442.00 | |||
| Pvap | 0.13 | kPa | 273.70 | Calculated Property |
| Pvap | 0.43 | kPa | 292.40 | Calculated Property |
| Pvap | 1.19 | kPa | 311.10 | Calculated Property |
| Pvap | 2.87 | kPa | 329.80 | Calculated Property |
| Pvap | 6.22 | kPa | 348.50 | Calculated Property |
| Pvap | 12.34 | kPa | 367.20 | Calculated Property |
| Pvap | 22.71 | kPa | 385.90 | Calculated Property |
| Pvap | 39.28 | kPa | 404.60 | Calculated Property |
| Pvap | 64.37 | kPa | 423.30 | Calculated Property |
| Pvap | 100.73 | kPa | 442.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Trichlorobutane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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