- InChI
- InChI=1S/C10H5Cl3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5H
- InChI Key
- VQSNXLCFFHGXTI-UHFFFAOYSA-N
- Formula
- C10H5Cl3
- SMILES
- Clc1ccc(Cl)c2c(Cl)cccc12
- Molecular Weight1
- 231.51
- 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).
- 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).
- 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 | 0.4443 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 68.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.800 | Crippen Calculated Property | |
| McVol | 145.260 | ml/mol | McGowan Calculated Property |
| Pc | 3235.66 | kPa | Joback Calculated Property |
| Inp | [1852.00; 1852.00] |
|
|
| Inp | 1852.00 | NIST | |
| Inp | 1852.00 | NIST | |
| Inp | 1852.00 | NIST | |
| Tboil | 576.10 | K | Relay (1.0) Calculated Property |
| Tc | 847.43 | K | Relay (1.0) Calculated Property |
| Tfus | 343.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.532 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.23; 341.62] | 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 | 1.00200e+01 | |||
| Coefficient B | 7.13100e-01 | |||
| Coefficient C | -5.48200e-04 | |||
| Coefficient D | 1.66700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 254.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 275.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 293.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 308.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 331.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 341.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012520; 0.0003706] | Pa×s | [388.90; 599.39] |
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 | -1.01494e+01 | |||
| Coefficient B | 1.34808e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 388.90 | |||
| Temperature range, max. | 599.39 | |||
| η | 0.0012520 | Pa×s | 388.90 | Calculated Property |
| η | 0.0010285 | Pa×s | 412.29 | Calculated Property |
| η | 0.0008630 | Pa×s | 435.67 | Calculated Property |
| η | 0.0007371 | Pa×s | 459.06 | Calculated Property |
| η | 0.0006393 | Pa×s | 482.45 | Calculated Property |
| η | 0.0005618 | Pa×s | 505.84 | Calculated Property |
| η | 0.0004994 | Pa×s | 529.22 | Calculated Property |
| η | 0.0004484 | Pa×s | 552.61 | Calculated Property |
| η | 0.0004061 | Pa×s | 576.00 | Calculated Property |
| η | 0.0003706 | Pa×s | 599.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,4,5-trichloro.
Sources
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