- InChI
- InChI=1S/C8H18O/c1-4-7-8(9,5-2)6-3/h9H,4-7H2,1-3H3
- InChI Key
- WNDLTOTUHMHNOC-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCC(O)(CC)CC
- Molecular Weight1
- 130.23
- CAS
- 597-76-2
- Other Names
-
- 1,1-Diethyl-1-butanol
- 3-Ethyl-3-hexanol
- 3-ethylhexan-3-ol
- 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).
- 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).
- 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 | 0.5970 | Relay (1.0) Calculated Property | |
| ΔfG° | -117.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.338 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2844.44 | kPa | Joback Calculated Property |
| Tboil | [431.65; 433.25] | K |
|
| Tboil | 433.25 ± 2.00 | K | NIST |
| Tboil | 433.15 ± 3.00 | K | NIST |
| Tboil | 431.65 ± 3.00 | K | NIST |
| Tboil | 432.15 ± 3.00 | K | NIST |
| Tc | 620.09 | K | Relay (1.0) Calculated Property |
| Tfus | 245.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.85; 359.77] | J/mol×K | [471.39; 640.25] |
|
| Cp,gas | 292.85 | J/mol×K | 471.39 | Joback Calculated Property |
| Cp,gas | 305.37 | J/mol×K | 499.53 | Joback Calculated Property |
| Cp,gas | 317.32 | J/mol×K | 527.68 | Joback Calculated Property |
| Cp,gas | 328.71 | J/mol×K | 555.82 | Joback Calculated Property |
| Cp,gas | 339.57 | J/mol×K | 583.96 | Joback Calculated Property |
| Cp,gas | 349.91 | J/mol×K | 612.10 | Joback Calculated Property |
| Cp,gas | 359.77 | J/mol×K | 640.25 | Joback Calculated Property |
| η | [0.0001803; 0.0742698] | Pa×s | [243.16; 471.39] |
|
| η | 0.0742698 | Pa×s | 243.16 | Joback Calculated Property |
| η | 0.0138116 | Pa×s | 281.20 | Joback Calculated Property |
| η | 0.0038351 | Pa×s | 319.24 | Joback Calculated Property |
| η | 0.0013989 | Pa×s | 357.27 | Joback Calculated Property |
| η | 0.0006196 | Pa×s | 395.31 | Joback Calculated Property |
| η | 0.0003166 | Pa×s | 433.35 | Joback Calculated Property |
| η | 0.0001803 | Pa×s | 471.39 | Joback Calculated Property |
| ΔvapH | 49.20 | kJ/mol | 382.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [328.42; 457.91] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60042e+01 | |||
| Coefficient B | -4.33157e+03 | |||
| Coefficient C | -5.28160e+01 | |||
| Temperature range, min. | 328.42 | |||
| Temperature range, max. | 457.91 | |||
| Pvap | 1.33 | kPa | 328.42 | Calculated Property |
| Pvap | 2.91 | kPa | 342.81 | Calculated Property |
| Pvap | 5.89 | kPa | 357.20 | Calculated Property |
| Pvap | 11.20 | kPa | 371.58 | Calculated Property |
| Pvap | 20.14 | kPa | 385.97 | Calculated Property |
| Pvap | 34.49 | kPa | 400.36 | Calculated Property |
| Pvap | 56.61 | kPa | 414.75 | Calculated Property |
| Pvap | 89.46 | kPa | 429.13 | Calculated Property |
| Pvap | 136.69 | kPa | 443.52 | Calculated Property |
| Pvap | 202.64 | kPa | 457.91 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanol, 3-ethyl-.
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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