- InChI
- InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
- InChI Key
- SOUAXOGPALPTTC-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CCOC(=O)c1ccccc1C
- Molecular Weight1
- 164.20
- CAS
- 87-24-1
- Other Names
-
- Ethyl o-methylbenzoate
- 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).
- 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 | 0.5124 | Relay (1.0) Calculated Property | |
| ΔfG° | -174.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.172 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 2899.85 | kPa | Joback Calculated Property |
| Inp | 1271.50 | NIST | |
| Tboil | [500.00; 500.20] | K |
|
| Tboil | 500.20 | K | NIST |
| Tboil | 500.00 ± 2.00 | K | NIST |
| Tc | 710.58 | K | Relay (1.0) Calculated Property |
| Tfus | 232.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 493.70 | K | 97.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.25; 421.78] | 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 | -3.99000e-01 | |||
| Coefficient B | 7.60640e-01 | |||
| Coefficient C | -3.89760e-04 | |||
| Coefficient D | 5.13000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 222.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 295.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 325.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 351.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 374.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 393.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 409.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 421.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025685; 0.0002020] | Pa×s | [283.73; 510.55] |
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 | -1.16879e+01 | |||
| Coefficient B | 1.62392e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 283.73 | |||
| Temperature range, max. | 510.55 | |||
| η | 0.0025685 | Pa×s | 283.73 | Calculated Property |
| η | 0.0016103 | Pa×s | 308.93 | Calculated Property |
| η | 0.0010832 | Pa×s | 334.13 | Calculated Property |
| η | 0.0007703 | Pa×s | 359.34 | Calculated Property |
| η | 0.0005729 | Pa×s | 384.54 | Calculated Property |
| η | 0.0004418 | Pa×s | 409.74 | Calculated Property |
| η | 0.0003512 | Pa×s | 434.94 | Calculated Property |
| η | 0.0002862 | Pa×s | 460.15 | Calculated Property |
| η | 0.0002383 | Pa×s | 485.35 | Calculated Property |
| η | 0.0002020 | Pa×s | 510.55 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl o-toluate.
Sources
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