- InChI
- InChI=1S/C7H16O2/c1-3-7(4-2,5-8)6-9/h8-9H,3-6H2,1-2H3
- InChI Key
- XRVCFZPJAHWYTB-UHFFFAOYSA-N
- Formula
- C7H16O2
- SMILES
- CCC(CC)(CO)CO
- Molecular Weight1
- 132.20
- CAS
- 115-76-4
- Other Names
-
- 2,2-Diethyl-1,3-propanediol
- 2,2-Diethylpropane-1,3-diol
- 2,2-Diethylpropanediol-1,3
- 2,2-diethylpropanediol
- 3,3-Bis(hydroxymethyl)pentane
- 3,3-Dimethylol pentane
- DEP
- MC 1415
- NSC 12211
- Penderol
- Prenderol
- Prendiol
- 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).
- Pvap : Vapor 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 | 0.7044 | Relay (1.0) Calculated Property | |
| ΔfG° | -262.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.20 ± 0.20 | kJ/mol | NIST |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.777 | Crippen Calculated Property | |
| McVol | 121.230 | ml/mol | McGowan Calculated Property |
| Pc | 3513.74 | kPa | Joback Calculated Property |
| Tboil | 512.87 | K | Relay (1.0) Calculated Property |
| Tc | 702.57 | K | Relay (1.0) Calculated Property |
| Tfus | [334.50; 398.15] | K |
|
| Tfus | 398.15 ± 6.00 | K | NIST |
| Tfus | 334.70 ± 2.00 | K | NIST |
| Tfus | 334.50 ± 0.60 | K | NIST |
| Tfus | 334.50 ± 0.50 | K | NIST |
| Vc | 0.405 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.55; 355.13] | J/mol×K | [540.69; 705.20] |
|
| Cp,gas | 302.55 | J/mol×K | 540.69 | Joback Calculated Property |
| Cp,gas | 312.41 | J/mol×K | 568.11 | Joback Calculated Property |
| Cp,gas | 321.81 | J/mol×K | 595.53 | Joback Calculated Property |
| Cp,gas | 330.76 | J/mol×K | 622.94 | Joback Calculated Property |
| Cp,gas | 339.28 | J/mol×K | 650.36 | Joback Calculated Property |
| Cp,gas | 347.40 | J/mol×K | 677.78 | Joback Calculated Property |
| Cp,gas | 355.13 | J/mol×K | 705.20 | Joback Calculated Property |
| η | [0.0000577; 0.0841554] | Pa×s | [292.71; 540.69] |
|
| η | 0.0841554 | Pa×s | 292.71 | Joback Calculated Property |
| η | 0.0117921 | Pa×s | 334.04 | Joback Calculated Property |
| η | 0.0025471 | Pa×s | 375.37 | Joback Calculated Property |
| η | 0.0007456 | Pa×s | 416.70 | Joback Calculated Property |
| η | 0.0002724 | Pa×s | 458.03 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 499.36 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 540.69 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [392.72; 532.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64598e+01 | |||
| Coefficient B | -5.02281e+03 | |||
| Coefficient C | -8.21380e+01 | |||
| Temperature range, min. | 392.72 | |||
| Temperature range, max. | 532.68 | |||
| Pvap | 1.33 | kPa | 392.72 | Calculated Property |
| Pvap | 2.88 | kPa | 408.27 | Calculated Property |
| Pvap | 5.81 | kPa | 423.82 | Calculated Property |
| Pvap | 11.02 | kPa | 439.37 | Calculated Property |
| Pvap | 19.81 | kPa | 454.92 | Calculated Property |
| Pvap | 33.98 | kPa | 470.48 | Calculated Property |
| Pvap | 55.91 | kPa | 486.03 | Calculated Property |
| Pvap | 88.66 | kPa | 501.58 | Calculated Property |
| Pvap | 136.03 | kPa | 517.13 | Calculated Property |
| Pvap | 202.65 | kPa | 532.68 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, 2,2-diethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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