- InChI
- InChI=1S/C9H10O2/c1-7-4-3-5-9(8(7)2)11-6-10/h3-6H,1-2H3
- InChI Key
- ZHCRALNPDAMNAX-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- Cc1cccc(OC=O)c1C
- Molecular Weight1
- 150.17
- 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 | 0.5018 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.839 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | 1207.00 | NIST | |
| Tboil | 490.21 | K | Relay (1.0) Calculated Property |
| Tc | 719.75 | K | Relay (1.0) Calculated Property |
| Tfus | 279.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.07; 351.02] | 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 | -5.60000e+00 | |||
| Coefficient B | 7.09240e-01 | |||
| Coefficient C | -4.75720e-04 | |||
| Coefficient D | 1.23100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 191.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 222.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 250.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 274.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 294.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 312.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 327.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 339.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 351.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014089; 0.0003678] | Pa×s | [301.35; 498.19] |
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 | -9.96419e+00 | |||
| Coefficient B | 1.02437e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 301.35 | |||
| Temperature range, max. | 498.19 | |||
| η | 0.0014089 | Pa×s | 301.35 | Calculated Property |
| η | 0.0011194 | Pa×s | 323.22 | Calculated Property |
| η | 0.0009157 | Pa×s | 345.09 | Calculated Property |
| η | 0.0007672 | Pa×s | 366.96 | Calculated Property |
| η | 0.0006557 | Pa×s | 388.84 | Calculated Property |
| η | 0.0005699 | Pa×s | 410.71 | Calculated Property |
| η | 0.0005024 | Pa×s | 432.58 | Calculated Property |
| η | 0.0004483 | Pa×s | 454.45 | Calculated Property |
| η | 0.0004042 | Pa×s | 476.32 | Calculated Property |
| η | 0.0003678 | Pa×s | 498.19 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 2,3-dimethylphenyl ester.
Sources
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