- InChI
- InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
- InChI Key
- RMIODHQZRUFFFF-UHFFFAOYSA-N
- Formula
- C3H6O3
- SMILES
- COCC(=O)O
- Molecular Weight1
- 90.08
- CAS
- 625-45-6
- Other Names
-
- 2-Methoxyacetic acid
- CH3OCH2COOH
- Methoxyacetic acid
- Methoxyethanoic acid
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- 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 | 0.6266 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.283 | Crippen Calculated Property | |
| McVol | 66.440 | ml/mol | McGowan Calculated Property |
| Pc | 4862.97 | kPa | Joback Calculated Property |
| Tboil | 476.70 | K | NIST |
| Tc | 645.70 | K | Relay (1.0) Calculated Property |
| Tfus | 309.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.243 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 54.50 | kJ/mol | 401.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 369.20 | K | 1.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [98.15; 203.38] | 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 | 3.02610e+01 | |||
| Coefficient B | 2.76420e-01 | |||
| Coefficient C | -1.01000e-04 | |||
| Coefficient D | -2.30000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 98.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 115.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 131.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 145.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 158.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 170.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 180.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 189.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 197.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 203.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011825; 0.0002689] | Pa×s | [306.40; 441.36] |
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 | -1.15833e+01 | |||
| Coefficient B | 1.48395e+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. | 306.40 | |||
| Temperature range, max. | 441.36 | |||
| η | 0.0011825 | Pa×s | 306.40 | Calculated Property |
| η | 0.0009433 | Pa×s | 321.40 | Calculated Property |
| η | 0.0007678 | Pa×s | 336.39 | Calculated Property |
| η | 0.0006361 | Pa×s | 351.39 | Calculated Property |
| η | 0.0005351 | Pa×s | 366.38 | Calculated Property |
| η | 0.0004563 | Pa×s | 381.38 | Calculated Property |
| η | 0.0003939 | Pa×s | 396.37 | Calculated Property |
| η | 0.0003436 | Pa×s | 411.37 | Calculated Property |
| η | 0.0003027 | Pa×s | 426.36 | Calculated Property |
| η | 0.0002689 | Pa×s | 441.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 213.48] | kPa | [368.71; 504.35] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57677e+01 | |||
| Coefficient B | -4.30386e+03 | |||
| Coefficient C | -9.06830e+01 | |||
| Temperature range, min. | 368.71 | |||
| Temperature range, max. | 504.35 | |||
| Pvap | 1.33 | kPa | 368.71 | Calculated Property |
| Pvap | 2.96 | kPa | 383.78 | Calculated Property |
| Pvap | 6.06 | kPa | 398.85 | Calculated Property |
| Pvap | 11.62 | kPa | 413.92 | Calculated Property |
| Pvap | 21.03 | kPa | 428.99 | Calculated Property |
| Pvap | 36.19 | kPa | 444.07 | Calculated Property |
| Pvap | 59.55 | kPa | 459.14 | Calculated Property |
| Pvap | 94.24 | kPa | 474.21 | Calculated Property |
| Pvap | 144.05 | kPa | 489.28 | Calculated Property |
| Pvap | 213.48 | kPa | 504.35 | Calculated Property |
| Pvap | [0.14; 98.96] | kPa | [325.70; 477.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.82773e+01 | |||
| Coefficient B | -6.36575e+03 | |||
| Coefficient C | -1.17560e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 325.70 | |||
| Temperature range, max. | 477.00 | |||
| Pvap | 0.14 | kPa | 325.70 | Calculated Property |
| Pvap | 0.38 | kPa | 342.51 | Calculated Property |
| Pvap | 0.96 | kPa | 359.32 | Calculated Property |
| Pvap | 2.24 | kPa | 376.13 | Calculated Property |
| Pvap | 4.84 | kPa | 392.94 | Calculated Property |
| Pvap | 9.81 | kPa | 409.76 | Calculated Property |
| Pvap | 18.75 | kPa | 426.57 | Calculated Property |
| Pvap | 34.09 | kPa | 443.38 | Calculated Property |
| Pvap | 59.25 | kPa | 460.19 | Calculated Property |
| Pvap | 98.96 | kPa | 477.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, methoxy-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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