- InChI
- InChI=1S/C8H18O/c1-5-8(9,6-2)7(3)4/h7,9H,5-6H2,1-4H3
- InChI Key
- DMHIJUVUPKCGLJ-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCC(O)(CC)C(C)C
- Molecular Weight1
- 130.23
- CAS
- 597-05-7
- Other Names
-
- 2-Methyl-3-ethyl-3-pentanol
- 3-Ethyl-2-methyl-3-pentanol
- 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 | 0.5644 | Relay (1.0) Calculated Property | |
| ΔfG° | -119.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.194 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Tboil | 432.15 ± 3.00 | K | NIST |
| Tc | 614.23 | K | Relay (1.0) Calculated Property |
| Tfus | 265.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.92; 452.73] | 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 | -2.52480e+01 | |||
| Coefficient B | 9.29580e-01 | |||
| Coefficient C | -6.16800e-04 | |||
| Coefficient D | 1.65200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 312.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 344.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 372.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 396.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 417.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 436.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 452.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1736472; 0.0002309] | Pa×s | [228.16; 450.51] |
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 | -1.51697e+01 | |||
| Coefficient B | 3.06167e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 228.16 | |||
| Temperature range, max. | 450.51 | |||
| η | 0.1736472 | Pa×s | 228.16 | Calculated Property |
| η | 0.0468032 | Pa×s | 252.87 | Calculated Property |
| η | 0.0159310 | Pa×s | 277.57 | Calculated Property |
| η | 0.0064672 | Pa×s | 302.28 | Calculated Property |
| η | 0.0030085 | Pa×s | 326.98 | Calculated Property |
| η | 0.0015584 | Pa×s | 351.69 | Calculated Property |
| η | 0.0008801 | Pa×s | 376.39 | Calculated Property |
| η | 0.0005333 | Pa×s | 401.10 | Calculated Property |
| η | 0.0003424 | Pa×s | 425.81 | Calculated Property |
| η | 0.0002309 | Pa×s | 450.51 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [321.57; 457.32] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.72063e+01 | |||
| Coefficient B | -5.43799e+03 | |||
| Coefficient C | -1.50000e-01 | |||
| Temperature range, min. | 321.57 | |||
| Temperature range, max. | 457.32 | |||
| Pvap | 1.33 | kPa | 321.57 | Calculated Property |
| Pvap | 2.85 | kPa | 336.65 | Calculated Property |
| Pvap | 5.69 | kPa | 351.74 | Calculated Property |
| Pvap | 10.76 | kPa | 366.82 | Calculated Property |
| Pvap | 19.33 | kPa | 381.90 | Calculated Property |
| Pvap | 33.21 | kPa | 396.99 | Calculated Property |
| Pvap | 54.85 | kPa | 412.07 | Calculated Property |
| Pvap | 87.45 | kPa | 427.15 | Calculated Property |
| Pvap | 135.03 | kPa | 442.24 | Calculated Property |
| Pvap | 202.63 | kPa | 457.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Pentanol, 3-ethyl-2-methyl-.
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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