- InChI
- InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2
- InChI Key
- ARXKVVRQIIOZGF-UHFFFAOYSA-N
- Formula
- C4H10O3
- SMILES
- OCCC(O)CO
- Molecular Weight1
- 106.12
- Other Names
-
- 1,2,4-Butantriol
- 1,2,4-trihydroxybutane
- 1,3,4-butanetriol
- 2-Deoxyerythritol
- Butane-1,2,4-triol
- HOCH2CH(OH)CH2CH2OH
- Triol 124
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 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 |
|---|---|---|---|
| PAff | 905.90 | kJ/mol | NIST |
| BasG | 841.00 | kJ/mol | NIST |
| ΔfH°gas | -592.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.98 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | 0.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | -1.278 | Crippen Calculated Property | |
| McVol | 84.830 | ml/mol | McGowan Calculated Property |
| Pc | 5756.64 | kPa | Joback Calculated Property |
| Tboil | 554.67 | K | Relay (1.0) Calculated Property |
| Tc | 799.34 | K | Relay (1.0) Calculated Property |
| Tfus | 304.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.308 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [440.50; 463.70] | K | [1.50; 2.40] |
|
| Tboilr | 440.50 ± 0.50 | K | 1.50 | NIST |
| Tboilr | 463.70 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.53; 282.24] | 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 | 1.34430e+01 | |||
| Coefficient B | 4.91700e-01 | |||
| Coefficient C | -2.88200e-04 | |||
| Coefficient D | 6.53000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 127.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 178.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 199.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 217.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 234.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 248.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 261.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 272.62 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 282.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1910150; 0.0000724] | Pa×s | [302.30; 507.87] |
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 | -2.11184e+01 | |||
| Coefficient B | 5.88367e+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. | 302.30 | |||
| Temperature range, max. | 507.87 | |||
| η | 0.1910150 | Pa×s | 302.30 | Calculated Property |
| η | 0.0486702 | Pa×s | 325.14 | Calculated Property |
| η | 0.0148393 | Pa×s | 347.98 | Calculated Property |
| η | 0.0052373 | Pa×s | 370.82 | Calculated Property |
| η | 0.0020859 | Pa×s | 393.67 | Calculated Property |
| η | 0.0009190 | Pa×s | 416.51 | Calculated Property |
| η | 0.0004409 | Pa×s | 439.35 | Calculated Property |
| η | 0.0002275 | Pa×s | 462.19 | Calculated Property |
| η | 0.0001249 | Pa×s | 485.03 | Calculated Property |
| η | 0.0000724 | Pa×s | 507.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Butanetriol.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Isopiestic determination of osmotic and activity coefficients of aqueous solutions of aliphatic polyols at 298.15K
- Enthalpies of dilution of aqueous solutions of n-butanol, butanediols, 1,2,4-butanetriol, and 1,2,3,4-butanetetrol at 298.15K
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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