- InChI
- InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
- InChI Key
- QXJQHYBHAIHNGG-UHFFFAOYSA-N
- Formula
- C5H12O3
- SMILES
- CC(CO)(CO)CO
- Molecular Weight1
- 120.15
- CAS
- 77-85-0
- Other Names
-
- 1,1,1-trimethanolethane
- 1,1,1-trimethylolethane
- 1,1,1-tris(hydroxymethyl)ethane
- 1,1,1-tris(methylol)ethane
- 2,2-bis(hydroxymethyl)-1-propanol
- 2,2-di(hydroxymethyl)propanol
- 2-(hydroxymethyl)-2-methyl-1,3-propanediol
- Methriol
- Metriol
- NSC 65581
- TME
- Trimet
- Tris(hydroxymethyl)ethane
- ethane, 1,1,1-tris(hydroxymethyl)-
- ethylidynetrimethanol
- methyltrimethanolmethane
- pentaglycerine
- trimethylolethane
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase 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 | 0.8121 | Relay (... Calculated Property | |
| ΔcH°solid | [-2941.80; -2938.00] | kJ/mol |
|
| ΔcH°solid | -2938.00 ± 2.90 | kJ/mol | NIST |
| ΔcH°solid | -2941.80 | kJ/mol | NIST |
| ΔfG° | -416.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.00 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | [-744.30; -740.78] | kJ/mol |
|
| ΔfH°solid | -744.30 ± 3.00 | kJ/mol | NIST |
| ΔfH°solid | -740.78 | kJ/mol | NIST |
| ΔfusH° | 13.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.73 | kJ/mol | Relay (... Calculated Property |
| IE | 9.95 | eV | Relay (... Calculated Property |
| log10WS | -0.25 | Relay (... Calculated Property | |
| logPoct/wat | -1.030 | Crippen Calculated Property | |
| McVol | 98.920 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback Calculated Property |
| Tboil | 568.04 | K | Relay (... Calculated Property |
| Tc | 764.52 | K | Relay (... Calculated Property |
| Tfus | [470.00; 473.70] | K |
|
| Tfus | 473.70 ± 0.10 | K | NIST |
| Tfus | 470.00 ± 2.00 | K | NIST |
| Tfus | 471.30 ± 0.40 | K | NIST |
| Vc | 0.348 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.67; 295.16] | J/mol×K | [587.11; 749.41] |
|
| Cp,gas | 258.67 | J/mol×K | 587.11 | Joback Calculated Property |
| Cp,gas | 265.56 | J/mol×K | 614.16 | Joback Calculated Property |
| Cp,gas | 272.09 | J/mol×K | 641.21 | Joback Calculated Property |
| Cp,gas | 278.31 | J/mol×K | 668.26 | Joback Calculated Property |
| Cp,gas | 284.21 | J/mol×K | 695.31 | Joback Calculated Property |
| Cp,gas | 289.82 | J/mol×K | 722.36 | Joback Calculated Property |
| Cp,gas | 295.16 | J/mol×K | 749.41 | Joback Calculated Property |
| Cp,solid | 182.60 | J/mol×K | 299.15 | NIST |
| η | [0.0000156; 0.0539145] | Pa×s | [330.99; 587.11] |
|
| η | 0.0539145 | Pa×s | 330.99 | Joback Calculated Property |
| η | 0.0063873 | Pa×s | 373.68 | Joback Calculated Property |
| η | 0.0011719 | Pa×s | 416.36 | Joback Calculated Property |
| η | 0.0002947 | Pa×s | 459.05 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 501.74 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 544.42 | Joback Calculated Property |
| η | 0.0000156 | Pa×s | 587.11 | Joback Calculated Property |
| ΔfusH | [4.70; 23.17] | kJ/mol | [354.00; 474.40] |
|
| ΔfusH | 23.17 | kJ/mol | 354.00 | NIST |
| ΔfusH | 4.70 | kJ/mol | 418.00 | NIST |
| ΔfusH | 5.38 | kJ/mol | 470.00 | NIST |
| ΔfusH | 5.38 | kJ/mol | 470.00 | NIST |
| ΔfusH | 4.80 | kJ/mol | 472.40 | NIST |
| ΔfusH | 4.72 | kJ/mol | 474.40 | NIST |
| ΔfusS | [11.44; 65.46] | J/mol×K | [354.00; 470.00] |
|
| ΔfusS | 65.46 | J/mol×K | 354.00 | NIST |
| ΔfusS | 11.44 | J/mol×K | 470.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Partial Molar Isentropic Compressions and Partial Molar Volumes of Selected Branched Aliphatic Alcohols at Infinite Dilution in Water at Temperatures from T = (278 to 318) K and Atmospheric Pressure
- Joback Method
- McGowan Method
- NIST Webbook
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