- InChI
- InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
- InChI Key
- QQLIGMASAVJVON-UHFFFAOYSA-N
- Formula
- C12H10O
- SMILES
- CC(=O)c1cccc2ccccc12
- Molecular Weight1
- 170.21
- CAS
- 941-98-0
- Other Names
-
- 1'-Acetonaphthone
- 1-(1-Naphthalenyl)ethanone
- 1-(Naphthalen-4-yl)ethanone
- 1-Acetonaphthalene
- 1-Acetonaphthone
- 1-Acetylnaphthalene
- 1-Naphthyl methyl ketone
- Methyl 1-naphthyl ketone
- Methyl «alpha»-naphthyl ketone
- NSC 7659
- «alpha»-Acetonaphthone
- «alpha»-Acetylnaphthalene
- «alpha»-Methyl naphthyl ketone
- «alpha»-Naphthyl methyl ketone
- 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).
- 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.
- 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 | 0.4826 | Relay (1.0) Calculated Property | |
| EA | 0.60 ± 0.03 | eV | NIST |
| ΔfG° | 130.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.23; 8.23] | eV |
|
| IE | 8.23 | eV | NIST |
| IE | 8.23 | eV | NIST |
| log10WS | -3.21 | 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 | [1592.00; 1592.00] |
|
|
| Inp | 1592.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Ip | [2471.00; 2471.00] |
|
|
| Ip | 2471.00 | NIST | |
| Ip | 2471.00 | NIST | |
| Tboil | 575.20 | K | NIST |
| Tc | 845.23 | K | Relay (1.0) Calculated Property |
| Tfus | [295.15; 307.00] | K |
|
| Tfus | 295.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 307.00 | K | NIST |
| Vc | 0.510 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 65.40 | kJ/mol | 478.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [417.00; 428.50] | K | [0.80; 2.00] |
|
| Tboilr | 417.00 ± 1.00 | K | 0.80 | NIST |
| Tboilr | 428.50 ± 1.50 | K | 2.00 | 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 | [0.0031581; 0.0003649] | Pa×s | [301.07; 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. | 301.07 | |||
| Temperature range, max. | 572.26 | |||
| η | 0.0031581 | Pa×s | 301.07 | Calculated Property |
| η | 0.0020869 | Pa×s | 331.21 | Calculated Property |
| η | 0.0014776 | Pa×s | 361.34 | Calculated Property |
| η | 0.0011034 | Pa×s | 391.47 | Calculated Property |
| η | 0.0008590 | Pa×s | 421.60 | Calculated Property |
| η | 0.0006915 | Pa×s | 451.73 | Calculated Property |
| η | 0.0005720 | Pa×s | 481.87 | Calculated Property |
| η | 0.0004838 | Pa×s | 512.00 | Calculated Property |
| η | 0.0004169 | Pa×s | 542.13 | Calculated Property |
| η | 0.0003649 | Pa×s | 572.26 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [433.94; 600.23] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.85376e+01 | |||
| Coefficient B | -7.98937e+03 | |||
| Coefficient C | 3.83100e+00 | |||
| Temperature range, min. | 433.94 | |||
| Temperature range, max. | 600.23 | |||
| Pvap | 1.33 | kPa | 433.94 | Calculated Property |
| Pvap | 2.79 | kPa | 452.42 | Calculated Property |
| Pvap | 5.52 | kPa | 470.89 | Calculated Property |
| Pvap | 10.37 | kPa | 489.37 | Calculated Property |
| Pvap | 18.61 | kPa | 507.85 | Calculated Property |
| Pvap | 32.06 | kPa | 526.32 | Calculated Property |
| Pvap | 53.26 | kPa | 544.80 | Calculated Property |
| Pvap | 85.60 | kPa | 563.28 | Calculated Property |
| Pvap | 133.51 | kPa | 581.75 | Calculated Property |
| Pvap | 202.65 | kPa | 600.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(1-Naphthalenyl)-.
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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