- InChI
- InChI=1S/C8H18O/c1-4-7(5-2)8(9)6-3/h7-9H,4-6H2,1-3H3
- InChI Key
- BOJLCKCCKQMGKD-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCC(O)C(CC)CC
- Molecular Weight1
- 130.23
- CAS
- 19780-44-0
- Other Names
-
- 4-Ethyl-3-hexanol
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.5750 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -378.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.194 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Inp | [953.00; 953.00] |
|
|
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 953.00 | NIST | |
| Tboil | [436.15; 438.15] | K |
|
| Tboil | 436.15 ± 3.00 | K | NIST |
| Tboil | 438.15 ± 5.00 | K | NIST |
| Tc | 624.51 | K | Relay (1.0) Calculated Property |
| Tfus | 228.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.06; 451.80] | 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 | -2.45700e+00 | |||
| Coefficient B | 8.09660e-01 | |||
| Coefficient C | -4.48200e-04 | |||
| Coefficient D | 9.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 272.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 308.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 340.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 369.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 394.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.3001577; 0.0002271] | Pa×s | [210.74; 448.14] |
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 | -1.47697e+01 | |||
| Coefficient B | 2.85895e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 210.74 | |||
| Temperature range, max. | 448.14 | |||
| η | 0.3001577 | Pa×s | 210.74 | Calculated Property |
| η | 0.0663636 | Pa×s | 237.12 | Calculated Property |
| η | 0.0198489 | Pa×s | 263.50 | Calculated Property |
| η | 0.0073951 | Pa×s | 289.87 | Calculated Property |
| η | 0.0032485 | Pa×s | 316.25 | Calculated Property |
| η | 0.0016197 | Pa×s | 342.63 | Calculated Property |
| η | 0.0008920 | Pa×s | 369.01 | Calculated Property |
| η | 0.0005320 | Pa×s | 395.39 | Calculated Property |
| η | 0.0003385 | Pa×s | 421.76 | Calculated Property |
| η | 0.0002271 | Pa×s | 448.14 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [332.34; 460.19] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65596e+01 | |||
| Coefficient B | -4.65790e+03 | |||
| Coefficient C | -4.60840e+01 | |||
| Temperature range, min. | 332.34 | |||
| Temperature range, max. | 460.19 | |||
| Pvap | 1.33 | kPa | 332.34 | Calculated Property |
| Pvap | 2.88 | kPa | 346.55 | Calculated Property |
| Pvap | 5.80 | kPa | 360.75 | Calculated Property |
| Pvap | 10.98 | kPa | 374.96 | Calculated Property |
| Pvap | 19.74 | kPa | 389.16 | Calculated Property |
| Pvap | 33.87 | kPa | 403.37 | Calculated Property |
| Pvap | 55.77 | kPa | 417.57 | Calculated Property |
| Pvap | 88.50 | kPa | 431.78 | Calculated Property |
| Pvap | 135.91 | kPa | 445.98 | Calculated Property |
| Pvap | 202.66 | kPa | 460.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanol, 4-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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