- InChI
- InChI=1S/C14H9Cl/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H
- InChI Key
- SRIHSAFSOOUEGL-UHFFFAOYSA-N
- Formula
- C14H9Cl
- SMILES
- Clc1cccc2cc3ccccc3cc12
- Molecular Weight1
- 212.67
- CAS
- 4985-70-0
- Other Names
-
- 1-Chloroanthracene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.4603 | Relay (1.0) Calculated Property | |
| EA | 0.83 ± 0.10 | eV | NIST |
| ΔfG° | 361.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 178.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.646 | Crippen Calculated Property | |
| McVol | 157.680 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Tboil | 639.51 | K | Relay (1.0) Calculated Property |
| Tc | 920.43 | K | Relay (1.0) Calculated Property |
| Tfus | 353.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.589 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 14.14 | kJ/mol | 355.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.73; 443.70] | 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 | -6.51400e+01 | |||
| Coefficient B | 1.13530e+00 | |||
| Coefficient C | -9.28760e-04 | |||
| Coefficient D | 3.02300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 277.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 314.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 345.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 371.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 393.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 412.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 428.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 443.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020287; 0.0005049] | Pa×s | [353.40; 622.98] |
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 | -9.41422e+00 | |||
| Coefficient B | 1.13578e+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. | 353.40 | |||
| Temperature range, max. | 622.98 | |||
| η | 0.0020287 | Pa×s | 353.40 | Calculated Property |
| η | 0.0015782 | Pa×s | 383.35 | Calculated Property |
| η | 0.0012732 | Pa×s | 413.31 | Calculated Property |
| η | 0.0010575 | Pa×s | 443.26 | Calculated Property |
| η | 0.0008991 | Pa×s | 473.22 | Calculated Property |
| η | 0.0007794 | Pa×s | 503.17 | Calculated Property |
| η | 0.0006866 | Pa×s | 533.12 | Calculated Property |
| η | 0.0006130 | Pa×s | 563.08 | Calculated Property |
| η | 0.0005536 | Pa×s | 593.03 | Calculated Property |
| η | 0.0005049 | Pa×s | 622.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Anthracene, 1-chloro-.
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
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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