- InChI
- InChI=1S/C13H12O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
- InChI Key
- KVMXEPJRCAPKJL-UHFFFAOYSA-N
- Formula
- C13H12O2
- SMILES
- CCC(=O)Oc1ccc2ccccc2c1
- Molecular Weight1
- 200.24
- Other Names
-
- 2-Naphthalenol, propanoate
- 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).
- 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 | 0.5838 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.155 | Crippen Calculated Property | |
| McVol | 158.250 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Tboil | 577.44 | K | Relay (1.0) Calculated Property |
| Tc | 834.98 | K | Relay (1.0) Calculated Property |
| Tfus | 331.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.89; 485.77] | 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 | -3.45690e+01 | |||
| Coefficient B | 1.04192e+00 | |||
| Coefficient C | -6.89680e-04 | |||
| Coefficient D | 1.68100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 201.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 255.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 301.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 377.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 406.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 432.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 453.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 470.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 485.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017105; 0.0002719] | Pa×s | [350.24; 584.08] |
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 | -1.09645e+01 | |||
| Coefficient B | 1.60884e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 350.24 | |||
| Temperature range, max. | 584.08 | |||
| η | 0.0017105 | Pa×s | 350.24 | Calculated Property |
| η | 0.0012455 | Pa×s | 376.22 | Calculated Property |
| η | 0.0009449 | Pa×s | 402.21 | Calculated Property |
| η | 0.0007412 | Pa×s | 428.19 | Calculated Property |
| η | 0.0005979 | Pa×s | 454.17 | Calculated Property |
| η | 0.0004936 | Pa×s | 480.15 | Calculated Property |
| η | 0.0004156 | Pa×s | 506.14 | Calculated Property |
| η | 0.0003558 | Pa×s | 532.12 | Calculated Property |
| η | 0.0003091 | Pa×s | 558.10 | Calculated Property |
| η | 0.0002719 | Pa×s | 584.08 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthyl propionate.
Sources
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