- InChI
- InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
- InChI Key
- XSAYZAUNJMRRIR-UHFFFAOYSA-N
- Formula
- C12H10O
- SMILES
- CC(=O)c1ccc2ccccc2c1
- Molecular Weight1
- 170.21
- CAS
- 93-08-3
- Other Names
-
- 1-(2-Naphthalenyl)ethanone
- 2'-Acetonaphthone
- 2-Acetonaphthone
- 2-Acetylnaphthalene
- 2-Naphthyl methyl ketone
- Acetonaphthone
- Ethanone, 1-(2-naphthalenyl)-
- Ketone, methyl 2-naphthyl
- Methyl 2-naphthyl ketone
- Methyl «beta»-naphthyl ketone
- NSC 7658
- Oranger cyrstals
- «beta»-Acetonaphthalene
- «beta»-Acetonaphthone
- «beta»-Acetylnaphthalene
- «beta»-Methyl naphthyl ketone
- «beta»-Naphthyl methyl ketone
- 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).
- ΔsubH : Enthalpy of sublimation 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 | 0.4916 | Relay (1.0) Calculated Property | |
| ΔfG° | 130.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | NIST |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.042 | Crippen Calculated Property | |
| McVol | 138.290 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Inp | [1598.40; 1604.00] |
|
|
| Inp | 1598.40 | NIST | |
| Inp | 1604.00 | NIST | |
| Tboil | [573.70; 575.20] | K |
|
| Tboil | 573.70 | K | NIST |
| Tboil | 575.20 | K | NIST |
| Tboil | 575.00 ± 1.00 | K | NIST |
| Tc | 848.22 | K | Relay (1.0) Calculated Property |
| Tfus | [325.20; 329.00] | K |
|
| Tfus | 327.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 329.00 | K | NIST |
| Tfus | 325.20 ± 1.00 | K | NIST |
| Vc | 0.512 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [87.86; 87.90] | kJ/mol | [305.50; 328.80] |
|
| ΔsubH | 87.90 ± 0.40 | kJ/mol | 305.50 | NIST |
| ΔsubH | 87.86 ± 0.42 | kJ/mol | 328.80 | NIST |
| ΔvapH | 74.10 | kJ/mol | 483.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [445.00; 445.20] | K | [2.30; 2.30] |
|
| Tboilr | 445.20 | K | 2.30 | NIST |
| Tboilr | 445.00 ± 1.00 | K | 2.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.27; 415.09] | 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 | -5.17100e+01 | |||
| Coefficient B | 9.73720e-01 | |||
| Coefficient C | -7.11180e-04 | |||
| Coefficient D | 2.04260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 165.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 212.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 253.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 289.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 319.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 344.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 385.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 415.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021930; 0.0003649] | Pa×s | [327.28; 572.26] |
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 | -1.03120e+01 | |||
| Coefficient B | 1.37115e+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. | 327.28 | |||
| Temperature range, max. | 572.26 | |||
| η | 0.0021930 | Pa×s | 327.28 | Calculated Property |
| η | 0.0015898 | Pa×s | 354.50 | Calculated Property |
| η | 0.0012066 | Pa×s | 381.72 | Calculated Property |
| η | 0.0009500 | Pa×s | 408.94 | Calculated Property |
| η | 0.0007706 | Pa×s | 436.16 | Calculated Property |
| η | 0.0006407 | Pa×s | 463.38 | Calculated Property |
| η | 0.0005437 | Pa×s | 490.60 | Calculated Property |
| η | 0.0004694 | Pa×s | 517.82 | Calculated Property |
| η | 0.0004113 | Pa×s | 545.04 | Calculated Property |
| η | 0.0003649 | Pa×s | 572.26 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [446.52; 600.60] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.09370e+01 | |||
| Coefficient B | -9.89570e+03 | |||
| Coefficient C | 3.27040e+01 | |||
| Temperature range, min. | 446.52 | |||
| Temperature range, max. | 600.60 | |||
| Pvap | 1.33 | kPa | 446.52 | Calculated Property |
| Pvap | 2.72 | kPa | 463.64 | Calculated Property |
| Pvap | 5.28 | kPa | 480.76 | Calculated Property |
| Pvap | 9.84 | kPa | 497.88 | Calculated Property |
| Pvap | 17.63 | kPa | 515.00 | Calculated Property |
| Pvap | 30.48 | kPa | 532.12 | Calculated Property |
| Pvap | 51.03 | kPa | 549.24 | Calculated Property |
| Pvap | 82.96 | kPa | 566.36 | Calculated Property |
| Pvap | 131.28 | kPa | 583.48 | Calculated Property |
| Pvap | 202.65 | kPa | 600.60 | Calculated Property |
Similar Compounds
Find more compounds similar to METHYL NAPHTHYL KETONE.
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
- The Yaws Handbook of Vapor Pressure
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