- InChI
- InChI=1S/C19H16O2/c1-13-7-5-12-18(14(13)2)21-19(20)17-11-6-9-15-8-3-4-10-16(15)17/h3-12H,1-2H3
- InChI Key
- HVWYTSOYJVKMDN-UHFFFAOYSA-N
- Formula
- C19H16O2
- SMILES
-
Cc1cccc(OC(=O)c2cccc3ccccc23)c
1C - Molecular Weight1
- 276.33
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6916 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.676 | Crippen Calculated Property | |
| McVol | 219.030 | ml/mol | McGowan Calculated Property |
| Pc | 2113.89 | kPa | Joback Calculated Property |
| Inp | 2539.00 | NIST | |
| Tboil | 668.82 | K | Relay (1.0) Calculated Property |
| Tc | 979.79 | K | Relay (1.0) Calculated Property |
| Tfus | 360.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.02; 670.71] | 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 | -4.53300e+01 | |||
| Coefficient B | 1.41404e+00 | |||
| Coefficient C | -9.13200e-04 | |||
| Coefficient D | 2.15200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 277.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 350.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 414.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 470.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 518.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 560.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 595.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 625.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 650.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 670.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008693; 0.0001837] | Pa×s | [469.32; 718.28] |
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 | -1.15324e+01 | |||
| Coefficient B | 2.10470e+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. | 469.32 | |||
| Temperature range, max. | 718.28 | |||
| η | 0.0008693 | Pa×s | 469.32 | Calculated Property |
| η | 0.0006773 | Pa×s | 496.98 | Calculated Property |
| η | 0.0005417 | Pa×s | 524.64 | Calculated Property |
| η | 0.0004431 | Pa×s | 552.31 | Calculated Property |
| η | 0.0003695 | Pa×s | 579.97 | Calculated Property |
| η | 0.0003132 | Pa×s | 607.63 | Calculated Property |
| η | 0.0002694 | Pa×s | 635.29 | Calculated Property |
| η | 0.0002346 | Pa×s | 662.96 | Calculated Property |
| η | 0.0002066 | Pa×s | 690.62 | Calculated Property |
| η | 0.0001837 | Pa×s | 718.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 2,3-dimethylphenyl ester.
Sources
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