- InChI
- InChI=1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)
- InChI Key
- PTBDIHRZYDMNKB-UHFFFAOYSA-N
- Formula
- C5H10O4
- SMILES
- CC(CO)(CO)C(=O)O
- Molecular Weight1
- 134.13
- Other Names
-
- 2,2-Dihydroxymethylpropanoic acid
- 2,2-Dimethylolpropionic acid
- 2,2-bis(hydroxymethyl)propanoic acid
- 2,2-bis(hydroxymethyl)propionic acid
- Hydracrylic acid, 2-(hydroxymethyl)-2-methyl-
- NSC 96616
- Propionic acid, 2,2-bis(hydroxymethyl)-
- dimethylolpropionic acid
- propanoic acid, 2,2-bis(hydroxymethyl)-
- «alpha»,«alpha»-Bis(hydroxymethyl)propionic acid
- «alpha»,«alpha»-Dimethylolpropionic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.8439 | Relay (1.0) Calculated Property | |
| ΔfG° | -623.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.76 | kJ/mol | Thermal analysis of phase change materials in the temperature range 120.150 .C |
| ΔvapH° | 91.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.938 | Crippen Calculated Property | |
| McVol | 100.490 | ml/mol | McGowan Calculated Property |
| Pc | 5058.59 | kPa | Joback Calculated Property |
| Tboil | 552.06 | K | Relay (1.0) Calculated Property |
| Tc | 799.55 | K | Relay (1.0) Calculated Property |
| Tfus | [462.65; 468.70] | K |
|
| Tfus | 462.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 468.70 ± 3.00 | K | NIST |
| Vc | 0.357 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [3.59; 38.50] | kJ/mol | [426.00; 468.00] |
|
| ΔfusH | 38.50 | kJ/mol | 426.00 | NIST |
| ΔfusH | 3.59 | kJ/mol | 468.00 | NIST |
| ΔfusH | 3.59 | kJ/mol | 468.00 | NIST |
| ΔfusS | [7.68; 90.37] | J/mol×K | [426.00; 468.00] |
|
| ΔfusS | 90.37 | J/mol×K | 426.00 | NIST |
| ΔfusS | 7.68 | J/mol×K | 468.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.72; 326.87] | 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 | -1.09480e+01 | |||
| Coefficient B | 7.23420e-01 | |||
| Coefficient C | -5.53400e-04 | |||
| Coefficient D | 1.67800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 183.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 212.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 259.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 277.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 292.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 305.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 316.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 326.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005134; 0.0000595] | Pa×s | [465.67; 576.30] |
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 | -1.88052e+01 | |||
| Coefficient B | 5.22990e+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. | 465.67 | |||
| Temperature range, max. | 576.30 | |||
| η | 0.0005134 | Pa×s | 465.67 | Calculated Property |
| η | 0.0003846 | Pa×s | 477.97 | Calculated Property |
| η | 0.0002924 | Pa×s | 490.26 | Calculated Property |
| η | 0.0002252 | Pa×s | 502.55 | Calculated Property |
| η | 0.0001757 | Pa×s | 514.84 | Calculated Property |
| η | 0.0001386 | Pa×s | 527.13 | Calculated Property |
| η | 0.0001106 | Pa×s | 539.42 | Calculated Property |
| η | 0.0000891 | Pa×s | 551.71 | Calculated Property |
| η | 0.0000725 | Pa×s | 564.01 | Calculated Property |
| η | 0.0000595 | Pa×s | 576.30 | Calculated Property |
Similar Compounds
Find more compounds similar to PROPANOIC ACID, 3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYL-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermal analysis of phase change materials in the temperature range 120.150 .C
- Joback Method
- McGowan Method
- NIST Webbook
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