- InChI
- InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
- InChI Key
- QTBSBXVTEAMEQO-GUEYOVJQSA-N
- Formula
- C2D4O2
- SMILES
- CC(=O)O
- Molecular Weight1
- 64.08
- CAS
- 1186-52-3
- Other Names
-
- [2H3]acetic [2H]acid
- ethanoic acid-d4
- 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).
- 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 | 0.5598 | Relay (1.0) Calculated Property | |
| ΔfG° | -377.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.51 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.091 | Crippen Calculated Property | |
| McVol | 46.480 | ml/mol | McGowan Calculated Property |
| Pc | 5730.52 | kPa | Joback Calculated Property |
| Tboil | 407.06 | K | Relay (1.0) Calculated Property |
| Tc | 588.43 | K | Relay (1.0) Calculated Property |
| Tfus | 287.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.175 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [61.53; 133.29] | 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 | 5.67000e+00 | |||
| Coefficient B | 2.44620e-01 | |||
| Coefficient C | -1.57600e-04 | |||
| Coefficient D | 4.06000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 61.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 74.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 85.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 95.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 104.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 111.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 118.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 123.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 128.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 133.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011610; 0.0002432] | Pa×s | [272.90; 411.29] |
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 | -1.14038e+01 | |||
| Coefficient B | 1.26770e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 272.90 | |||
| Temperature range, max. | 411.29 | |||
| η | 0.0011610 | Pa×s | 272.90 | Calculated Property |
| η | 0.0009062 | Pa×s | 288.28 | Calculated Property |
| η | 0.0007253 | Pa×s | 303.65 | Calculated Property |
| η | 0.0005931 | Pa×s | 319.03 | Calculated Property |
| η | 0.0004940 | Pa×s | 334.41 | Calculated Property |
| η | 0.0004182 | Pa×s | 349.78 | Calculated Property |
| η | 0.0003590 | Pa×s | 365.16 | Calculated Property |
| η | 0.0003120 | Pa×s | 380.53 | Calculated Property |
| η | 0.0002742 | Pa×s | 395.91 | Calculated Property |
| η | 0.0002432 | Pa×s | 411.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid-d4.
Sources
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