- InChI
- InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
- InChI Key
- JTPNRXUCIXHOKM-UHFFFAOYSA-N
- Formula
- C10H7Cl
- SMILES
- Clc1cccc2ccccc12
- Molecular Weight1
- 162.62
- CAS
- 90-13-1
- Other Names
-
- .alpha.-chloronaphthalene
- 1-Chlornaftalen
- 1-Chloronapthalene
- 1-Naphthalenyl chloride
- 1-chloronaphthalene
- 1-naphthyl chloride
- Monochloro naphthalene
- NSC 6166
- alpha-Chloronaphthalene
- alpha-Naphthyl chloride
- «alpha»-Chlornaphthalene
- «alpha»-Chloronaphthalene
- «alpha»-naphthyl chloride
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid 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).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3540 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5009.20 ± 8.40 | kJ/mol | NIST |
| EA | 0.28 ± 0.00 | eV | NIST |
| ΔfG° | 230.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 115.00 ± 9.60 | kJ/mol | NIST |
| ΔfH°liquid | 49.80 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 16.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [62.00; 65.30] | kJ/mol |
|
| ΔvapH° | 64.70 | kJ/mol | NIST |
| ΔvapH° | 62.00 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 64.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 65.30 ± 5.00 | kJ/mol | NIST |
| IE | 8.13 | eV | NIST |
| log10WS | [-3.93; -3.93] |
|
|
| log10WS | -3.93 | Aq. Solubility Prediction | |
| log10WS | -3.93 | Estimated Solubility | |
| logPoct/wat | 3.493 | Crippen Calculated Property | |
| McVol | 120.780 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| Inp | [236.15; 1382.00] |
|
|
| Inp | 1356.10 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1382.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 236.62 | NIST | |
| Inp | 236.15 | NIST | |
| Inp | 236.90 | NIST | |
| Inp | 1356.10 | NIST | |
| I | [1962.00; 1962.00] |
|
|
| I | 1962.00 | NIST | |
| I | 1962.00 | NIST | |
| Tboil | 528.89 | K | Relay (1.0) Calculated Property |
| Tc | 799.09 | K | Relay (1.0) Calculated Property |
| Tfus | 270.70 ± 0.50 | K | NIST |
| Vc | 0.450 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [211.28; 212.60] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 211.30 | J/mol×K | 298.15 | 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 |
| Cp,liquid | 212.60 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 211.28 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 211.37 | J/mol×K | 298.15 | NIST |
| ΔfusH | [12.90; 12.90] | kJ/mol | [270.70; 270.70] |
|
| ΔfusH | 12.90 | kJ/mol | 270.70 | NIST |
| ΔfusH | 12.90 | kJ/mol | 270.70 | NIST |
| ΔvapH | [57.80; 59.60] | kJ/mol | [373.00; 453.00] |
|
| ΔvapH | 58.60 | kJ/mol | 373.00 | NIST |
| ΔvapH | 57.80 | kJ/mol | 417.50 | NIST |
| ΔvapH | 59.60 | kJ/mol | 453.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 385.20 | K | 0.70 | NIST |
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 | [0.0024550; 0.0003279] | Pa×s | [270.70; 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. | 270.70 | |||
| Temperature range, max. | 532.72 | |||
| η | 0.0024550 | Pa×s | 270.70 | Calculated Property |
| η | 0.0016498 | Pa×s | 299.81 | Calculated Property |
| η | 0.0011895 | Pa×s | 328.93 | Calculated Property |
| η | 0.0009045 | Pa×s | 358.04 | Calculated Property |
| η | 0.0007168 | Pa×s | 387.15 | Calculated Property |
| η | 0.0005867 | Pa×s | 416.27 | Calculated Property |
| η | 0.0004930 | Pa×s | 445.38 | Calculated Property |
| η | 0.0004232 | Pa×s | 474.49 | Calculated Property |
| η | 0.0003698 | Pa×s | 503.61 | Calculated Property |
| η | 0.0003279 | Pa×s | 532.72 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [393.75; 566.81] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44380e+01 | |||
| Coefficient B | -4.44868e+03 | |||
| Coefficient C | -7.93600e+01 | |||
| Temperature range, min. | 393.75 | |||
| Temperature range, max. | 566.81 | |||
| Pvap | 1.33 | kPa | 393.75 | Calculated Property |
| Pvap | 3.01 | kPa | 412.98 | Calculated Property |
| Pvap | 6.23 | kPa | 432.21 | Calculated Property |
| Pvap | 11.96 | kPa | 451.44 | Calculated Property |
| Pvap | 21.52 | kPa | 470.67 | Calculated Property |
| Pvap | 36.66 | kPa | 489.89 | Calculated Property |
| Pvap | 59.53 | kPa | 509.12 | Calculated Property |
| Pvap | 92.74 | kPa | 528.35 | Calculated Property |
| Pvap | 139.31 | kPa | 547.58 | Calculated Property |
| Pvap | 202.66 | kPa | 566.81 | Calculated Property |
| Pvap | [1.26e-04; 3460.46] | kPa | [269.15; 785.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48921e+02 | |||
| Coefficient B | -1.35878e+04 | |||
| Coefficient C | -1.93077e+01 | |||
| Coefficient D | 8.49730e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 269.15 | |||
| Temperature range, max. | 785.00 | |||
| Pvap | 1.26e-04 | kPa | 269.15 | Calculated Property |
| Pvap | 0.03 | kPa | 326.47 | Calculated Property |
| Pvap | 0.89 | kPa | 383.78 | Calculated Property |
| Pvap | 9.03 | kPa | 441.10 | Calculated Property |
| Pvap | 46.60 | kPa | 498.42 | Calculated Property |
| Pvap | 158.40 | kPa | 555.73 | Calculated Property |
| Pvap | 413.68 | kPa | 613.05 | Calculated Property |
| Pvap | 915.55 | kPa | 670.37 | Calculated Property |
| Pvap | 1831.54 | kPa | 727.68 | Calculated Property |
| Pvap | 3460.46 | kPa | 785.00 | Calculated Property |
| Pvap | [0.14; 97.90] | kPa | [353.80; 532.40] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.23745e+01 | |||
| Coefficient B | -3.05345e+03 | |||
| Coefficient C | -1.40453e+02 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 353.80 | |||
| Temperature range, max. | 532.40 | |||
| Pvap | 0.14 | kPa | 353.80 | Calculated Property |
| Pvap | 0.49 | kPa | 373.64 | Calculated Property |
| Pvap | 1.36 | kPa | 393.49 | Calculated Property |
| Pvap | 3.27 | kPa | 413.33 | Calculated Property |
| Pvap | 6.98 | kPa | 433.18 | Calculated Property |
| Pvap | 13.54 | kPa | 453.02 | Calculated Property |
| Pvap | 24.26 | kPa | 472.87 | Calculated Property |
| Pvap | 40.70 | kPa | 492.71 | Calculated Property |
| Pvap | 64.62 | kPa | 512.56 | Calculated Property |
| Pvap | 97.90 | kPa | 532.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1-chloro-.
Mixtures
- Naphthalene, 1-chloro- + Buckminsterfullerene
- Naphthalene, 1-chloro- + Octane + Thiophene, tetrahydro-, 1,1-dioxide
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
- Ternary Liquid-Liquid Equilibria for Systems of (Sulfolane + Toluene or Chloronaphthalene + Octane)
- Solubility of Bromoderivatives C60Brn (n = 6, 8, 24) in 1-Chloronaphthalene and 1-Bromonaphthalene in the Temperature Range (10 to 60) deg C
- Mutual Solubilities for Water-o-Nitrotoluene System and Distribution Coefficients for Furfural and Acetic Acid in Water-o-Nitrotoluene System
- Temperature Dependence of Solubility of Individual Light Fullerenes and Industrial Fullerene Mixture in 1-Chloronaphthalene and 1-Bromonaphthalene
- Joback Method
- KDB
- 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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