- InChI
- InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
- InChI Key
- CGYGETOMCSJHJU-UHFFFAOYSA-N
- Formula
- C10H7Cl
- SMILES
- Clc1ccc2ccccc2c1
- Molecular Weight1
- 162.62
- CAS
- 91-58-7
- Other Names
-
- 2-Chlornaftalen
- 2-Chloronaphthalene
- 2-Chloronapthalene
- Chloronaphthalene
- Rcra waste number U047
- «beta»-Chloronaphthalene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation 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.
- Ip : Polar retention indices.
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.3597 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5014.50 ± 8.40 | kJ/mol | NIST |
| ΔfG° | 230.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 137.00 ± 10.00 | kJ/mol | NIST |
| ΔfH°solid | 55.20 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 16.52 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 82.00 ± 5.90 | kJ/mol | NIST |
| ΔvapH° | 62.30 ± 1.10 | kJ/mol | NIST |
| IE | 8.11 | eV | NIST |
| log10WS | [-4.14; -4.14] |
|
|
| log10WS | -4.14 | Aq. Solubility Prediction | |
| log10WS | -4.14 | Estimated Solubility | |
| logPoct/wat | 3.493 | Crippen Calculated Property | |
| McVol | 120.780 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| Inp | [235.90; 1379.00] |
|
|
| Inp | 1353.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 237.00 | NIST | |
| Inp | 236.00 | NIST | |
| Inp | 235.90 | NIST | |
| Ip | [1973.00; 2006.00] |
|
|
| Ip | 2006.00 | NIST | |
| Ip | 1973.00 | NIST | |
| Ip | 2006.00 | NIST | |
| S°solid,1 bar | 202.13 | J/mol×K | NIST |
| Tboil | 532.98 | K | Relay (1.0) Calculated Property |
| Tc | 794.17 | K | Relay (1.0) Calculated Property |
| Tfus | [332.00; 334.15] | K |
|
| Tfus | 334.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 332.00 ± 1.00 | K | NIST |
| Ttriple | 331.17 ± 0.10 | K | NIST |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [135.32; 331.16] | 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 | -4.43600e+01 | |||
| Coefficient B | 8.18500e-01 | |||
| Coefficient C | -6.41480e-04 | |||
| Coefficient D | 1.98500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 135.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 173.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 206.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 234.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 257.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 277.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 293.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 307.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 320.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 331.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011407; 0.0003279] | Pa×s | [333.07; 532.72] |
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 | -1.01026e+01 | |||
| Coefficient B | 1.10796e+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. | 333.07 | |||
| Temperature range, max. | 532.72 | |||
| η | 0.0011407 | Pa×s | 333.07 | Calculated Property |
| η | 0.0009267 | Pa×s | 355.26 | Calculated Property |
| η | 0.0007715 | Pa×s | 377.44 | Calculated Property |
| η | 0.0006555 | Pa×s | 399.62 | Calculated Property |
| η | 0.0005666 | Pa×s | 421.81 | Calculated Property |
| η | 0.0004969 | Pa×s | 443.99 | Calculated Property |
| η | 0.0004413 | Pa×s | 466.17 | Calculated Property |
| η | 0.0003961 | Pa×s | 488.36 | Calculated Property |
| η | 0.0003589 | Pa×s | 510.54 | Calculated Property |
| η | 0.0003279 | Pa×s | 532.72 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [391.12; 580.30] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.33546e+01 | |||
| Coefficient B | -3.95755e+03 | |||
| Coefficient C | -8.82540e+01 | |||
| Temperature range, min. | 391.12 | |||
| Temperature range, max. | 580.30 | |||
| Pvap | 1.33 | kPa | 391.12 | Calculated Property |
| Pvap | 3.11 | kPa | 412.14 | Calculated Property |
| Pvap | 6.56 | kPa | 433.16 | Calculated Property |
| Pvap | 12.67 | kPa | 454.18 | Calculated Property |
| Pvap | 22.80 | kPa | 475.20 | Calculated Property |
| Pvap | 38.62 | kPa | 496.22 | Calculated Property |
| Pvap | 62.13 | kPa | 517.24 | Calculated Property |
| Pvap | 95.60 | kPa | 538.26 | Calculated Property |
| Pvap | 141.54 | kPa | 559.28 | Calculated Property |
| Pvap | 202.66 | kPa | 580.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 2-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
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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