- InChI
- InChI=1S/C13H12O/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
- InChI Key
- QLYPHTMKMPIJNG-UHFFFAOYSA-N
- Formula
- C13H12O
- SMILES
- CCC(=O)c1ccc2ccccc2c1
- Molecular Weight1
- 184.23
- CAS
- 6315-96-4
- 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).
- 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).
- 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 | 0.5219 | Relay (1.0) Calculated Property | |
| ΔfG° | 139.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.433 | Crippen Calculated Property | |
| McVol | 152.380 | ml/mol | McGowan Calculated Property |
| Pc | 2947.28 | kPa | Joback Calculated Property |
| Tboil | 586.20 | K | NIST |
| Tc | 841.21 | K | Relay (1.0) Calculated Property |
| Tfus | 354.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.565 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 455.20 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.48; 466.68] | 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 | -5.26190e+01 | |||
| Coefficient B | 1.06872e+00 | |||
| Coefficient C | -7.65580e-04 | |||
| Coefficient D | 2.16160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 239.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 284.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 324.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 358.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 387.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 411.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 432.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 450.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 466.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017698; 0.0003611] | Pa×s | [357.84; 584.87] |
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 | -1.04318e+01 | |||
| Coefficient B | 1.46531e+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. | 357.84 | |||
| Temperature range, max. | 584.87 | |||
| η | 0.0017698 | Pa×s | 357.84 | Calculated Property |
| η | 0.0013515 | Pa×s | 383.07 | Calculated Property |
| η | 0.0010670 | Pa×s | 408.29 | Calculated Property |
| η | 0.0008659 | Pa×s | 433.52 | Calculated Property |
| η | 0.0007190 | Pa×s | 458.74 | Calculated Property |
| η | 0.0006088 | Pa×s | 483.97 | Calculated Property |
| η | 0.0005240 | Pa×s | 509.19 | Calculated Property |
| η | 0.0004574 | Pa×s | 534.42 | Calculated Property |
| η | 0.0004042 | Pa×s | 559.65 | Calculated Property |
| η | 0.0003611 | Pa×s | 584.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2-naphthyl)propan-1-one.
Sources
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