- InChI
- InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
- InChI Key
- ZJCCRDAZUWHFQH-UHFFFAOYSA-N
- Formula
- C6H14O3
- SMILES
- CCC(CO)(CO)CO
- Molecular Weight1
- 134.17
- CAS
- 77-99-6
- Other Names
-
- 1,1,1-Tri(hydroxymethyl)propane
- 1,1,1-Trimethylolpropane
- 1,1,1-Tris(Hydroxymethyl)propane
- 1,1,1-trihydroxymethylpropane
- 2,2-Bis(hydroxymethyl)-1-butanol
- 2,2-dihydroxymethyl-1-butanol
- 2-Ethyl-2-(hydroxymethyl)propanediol
- 2-Ethyl-2-hydroxymethyl-1,3-propanediol
- 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
- Butanol, 2,2-bis(hydroxymethyl)-
- Ethriol
- Ethyltrimethylolmethane
- Etriol
- Ettriol
- Hexaglycerine
- Hexaglycerol
- Methanol, (propanetriyl)tris-
- NSC 3576
- Propane, 1,1,1-tris(hydroxymethyl)-
- TMP
- TMP (Alcohol)
- Tri(hydroxymethyl)propane
- Tris(hydroxymethyl)propane
- propylidynetrimethanol
- trimethylolpropane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 1.2871 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔcH°solid | -3611.00 | kJ/mol | NIST |
| ΔfG° | -407.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-751.00; -746.40] | kJ/mol |
|
| ΔfH°solid | -746.40 | kJ/mol | NIST |
| ΔfH°solid | -751.00 | kJ/mol | NIST |
| ΔfusH° | 16.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.640 | Crippen Calculated Property | |
| McVol | 113.010 | ml/mol | McGowan Calculated Property |
| Pc | 3909.93 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tboil | 573.57 | K | Relay (1.0) Calculated Property |
| Tc | 709.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | 333.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Ttriple | [333.40; 333.40] | K |
|
| Ttriple | 333.40 ± 0.05 | K | NIST |
| Ttriple | 333.40 ± 0.05 | K | NIST |
| Vc | 0.416 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 213.79 | J/mol×K | 301.29 | NIST |
| ΔfusH | [0.90; 21.45] | kJ/mol | [312.00; 333.40] |
|
| ΔfusH | 21.45 | kJ/mol | 312.00 | NIST |
| ΔfusH | 21.45 | kJ/mol | 312.00 | NIST |
| ΔfusH | 0.90 | kJ/mol | 332.70 | NIST |
| ΔfusH | 21.45 | kJ/mol | 333.40 | NIST |
| ΔfusH | 21.45 | kJ/mol | 333.40 | NIST |
| ΔvapH | 81.40 | kJ/mol | 501.50 | NIST |
| ΔfusS | [64.30; 64.30] | J/mol×K | [333.40; 333.40] |
|
| ΔfusS | 64.30 | J/mol×K | 333.40 | NIST |
| ΔfusS | 64.30 | J/mol×K | 333.40 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 433.20 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.81; 386.35] | 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 | -1.11660e+01 | |||
| Coefficient B | 8.01620e-01 | |||
| Coefficient C | -5.65600e-04 | |||
| Coefficient D | 1.61500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 168.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 208.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 243.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 273.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 299.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 322.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 341.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 358.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 373.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 386.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0579969; 0.0001187] | Pa×s | [333.15; 496.30] |
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 | -2.16819e+01 | |||
| Coefficient B | 6.27471e+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. | 333.15 | |||
| Temperature range, max. | 496.30 | |||
| η | 0.0579969 | Pa×s | 333.15 | Calculated Property |
| η | 0.0219426 | Pa×s | 351.28 | Calculated Property |
| η | 0.0091327 | Pa×s | 369.41 | Calculated Property |
| η | 0.0041260 | Pa×s | 387.53 | Calculated Property |
| η | 0.0020012 | Pa×s | 405.66 | Calculated Property |
| η | 0.0010326 | Pa×s | 423.79 | Calculated Property |
| η | 0.0005626 | Pa×s | 441.92 | Calculated Property |
| η | 0.0003215 | Pa×s | 460.04 | Calculated Property |
| η | 0.0001917 | Pa×s | 478.17 | Calculated Property |
| η | 0.0001187 | Pa×s | 496.30 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [451.21; 595.27] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.10282e+01 | |||
| Coefficient B | -9.34767e+03 | |||
| Coefficient C | -5.15000e-01 | |||
| Temperature range, min. | 451.21 | |||
| Temperature range, max. | 595.27 | |||
| Pvap | 1.33 | kPa | 451.21 | Calculated Property |
| Pvap | 2.72 | kPa | 467.22 | Calculated Property |
| Pvap | 5.28 | kPa | 483.22 | Calculated Property |
| Pvap | 9.82 | kPa | 499.23 | Calculated Property |
| Pvap | 17.60 | kPa | 515.24 | Calculated Property |
| Pvap | 30.43 | kPa | 531.24 | Calculated Property |
| Pvap | 50.96 | kPa | 547.25 | Calculated Property |
| Pvap | 82.87 | kPa | 563.26 | Calculated Property |
| Pvap | 131.20 | kPa | 579.26 | Calculated Property |
| Pvap | 202.64 | kPa | 595.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-.
Mixtures
- 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- + 1-Octanol + Water
- 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- + 1-Hexanol, 2-ethyl- + Water
- 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- + Water
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).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid-Liquid Equilibria for the Ternary and Quaternary Systems of Water + Trimethylolpropane + (2-Ethylhexan-1-ol/Octan-1-ol) + Formaldehyde at 298.15 K
- Partial Molar Volumes of Selected Aliphatic Alcohols at Infinite Dilution in Water at Temperatures T = (278 to 573) K and Pressures up to 30 MPa
- 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
- The Yaws Handbook of Vapor Pressure
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