- InChI
- InChI=1S/C14H12O3/c1-16-12-9-5-6-10-13(12)17-14(15)11-7-3-2-4-8-11/h2-10H,1H3
- InChI Key
- IZYQCDNLUPLXOO-UHFFFAOYSA-N
- Formula
- C14H12O3
- SMILES
- COc1ccccc1OC(=O)c1ccccc1
- Molecular Weight1
- 228.24
- CAS
- 531-37-3
- Other Names
-
- o-Methoxyphenyl benzoate
- Phenol, 2-methoxy-, benzoate
- o-Anisyl benzoate
- Benzcaine
- Benzosol
- Benzoylguaiacol
- Guaiacol benzoate
- Phenol, o-methoxy-, benzoate
- 2-Methyoxyphenyl benzoate
- Benzoguaiacol
- Benzoic acid, 2-methoxyphenyl ester
- 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 | 0.6413 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.914 | Crippen Calculated Property | |
| McVol | 173.910 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | [1893.00; 1893.00] |
|
|
| Inp | 1893.00 | NIST | |
| Inp | 1893.00 | NIST | |
| Tboil | 600.36 | K | Relay (1.0) Calculated Property |
| Tc | 851.48 | K | Relay (1.0) Calculated Property |
| Tfus | 331.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.641 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.25; 528.12] | 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 | -1.24400e+01 | |||
| Coefficient B | 9.98520e-01 | |||
| Coefficient C | -5.27560e-04 | |||
| Coefficient D | 6.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 222.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 277.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 327.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 371.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 410.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 443.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 471.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 494.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 513.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 528.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012156; 0.0001245] | Pa×s | [377.46; 627.91] |
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 | -1.24246e+01 | |||
| Coefficient B | 2.15607e+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. | 377.46 | |||
| Temperature range, max. | 627.91 | |||
| η | 0.0012156 | Pa×s | 377.46 | Calculated Property |
| η | 0.0008212 | Pa×s | 405.29 | Calculated Property |
| η | 0.0005835 | Pa×s | 433.11 | Calculated Property |
| η | 0.0004320 | Pa×s | 460.94 | Calculated Property |
| η | 0.0003310 | Pa×s | 488.77 | Calculated Property |
| η | 0.0002610 | Pa×s | 516.60 | Calculated Property |
| η | 0.0002109 | Pa×s | 544.42 | Calculated Property |
| η | 0.0001739 | Pa×s | 572.25 | Calculated Property |
| η | 0.0001460 | Pa×s | 600.08 | Calculated Property |
| η | 0.0001245 | Pa×s | 627.91 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxyphenyl benzoate.
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