- InChI
- InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3
- InChI Key
- RWLALWYNXFYRGW-UHFFFAOYSA-N
- Formula
- C8H18O2
- SMILES
- CCCC(O)C(CC)CO
- Molecular Weight1
- 146.23
- CAS
- 94-96-2
- Other Names
-
- 2-Ethyl-1,3-hexandiol
- 2-Ethyl-1,3-hexanediol
- 2-Ethyl-1,3-hexylene glycol
- 2-Ethyl-3-propyl-1,3-propanediol
- 2-Ethylhexane-1,3-diol
- 2-Ethylhexanediol
- 2-Ethylhexanediol-1,3
- 3-Hydroxymethyl-n-heptan-4-ol
- 6-12
- 6-12-Insect repellent
- Carbide 6-12
- Compound 6-12, insect repellent
- Diol-Kyowa 8
- EH diol
- EHD
- ENT 375
- Ethohexadiol
- Ethyl hexanediol
- Ethyl hexylene glycol
- Ethyl-1,3-hexane diol-2
- NSC 3881
- Octylene glycol
- Repellent 612
- Rutgers 612
- 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).
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -262.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.50 | kJ/mol | NIST |
| log10WS | -0.54 | Aq. Sol... | |
| logPoct/wat | 1.166 | Crippen Calculated Property | |
| McVol | 135.320 | ml/mol | McGowan Calculated Property |
| Pc | 3135.00 | kPa | Joback Calculated Property |
| I | [2667.00; 2667.00] |
|
|
| I | 2667.00 | NIST | |
| I | 2667.00 | NIST | |
| Tboil | [516.25; 517.20] | K |
|
| Tboil | 517.20 | K | NIST |
| Tboil | 516.35 | K | NIST |
| Tboil | 516.25 ± 1.00 | K | NIST |
| Tc | 727.66 | K | Joback Calculated Property |
| Tfus | 271.56 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.58; 402.84] | J/mol×K | [565.92; 727.66] |
|
| Cp,gas | 345.58 | J/mol×K | 565.92 | Joback Calculated Property |
| Cp,gas | 356.16 | J/mol×K | 592.88 | Joback Calculated Property |
| Cp,gas | 366.31 | J/mol×K | 619.83 | Joback Calculated Property |
| Cp,gas | 376.04 | J/mol×K | 646.79 | Joback Calculated Property |
| Cp,gas | 385.36 | J/mol×K | 673.75 | Joback Calculated Property |
| Cp,gas | 394.29 | J/mol×K | 700.71 | Joback Calculated Property |
| Cp,gas | 402.84 | J/mol×K | 727.66 | Joback Calculated Property |
| η | [0.0000411; 0.2642980] | Pa×s | [271.56; 565.92] |
|
| η | 0.2642980 | Pa×s | 271.56 | Joback Calculated Property |
| η | 0.0200295 | Pa×s | 320.62 | Joback Calculated Property |
| η | 0.0030104 | Pa×s | 369.68 | Joback Calculated Property |
| η | 0.0007054 | Pa×s | 418.74 | Joback Calculated Property |
| η | 0.0002241 | Pa×s | 467.80 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 516.86 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 565.92 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [400.72; 544.32] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63599e+01 | |||
| Coefficient B | -5.07566e+03 | |||
| Coefficient C | -8.49180e+01 | |||
| Temperature range, min. | 400.72 | |||
| Temperature range, max. | 544.32 | |||
| Pvap | 1.33 | kPa | 400.72 | Calculated Property |
| Pvap | 2.89 | kPa | 416.68 | Calculated Property |
| Pvap | 5.83 | kPa | 432.63 | Calculated Property |
| Pvap | 11.06 | kPa | 448.59 | Calculated Property |
| Pvap | 19.88 | kPa | 464.54 | Calculated Property |
| Pvap | 34.09 | kPa | 480.50 | Calculated Property |
| Pvap | 56.06 | kPa | 496.45 | Calculated Property |
| Pvap | 88.83 | kPa | 512.41 | Calculated Property |
| Pvap | 136.17 | kPa | 528.36 | Calculated Property |
| Pvap | 202.65 | kPa | 544.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Hexanediol, 2-ethyl-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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