- InChI
- InChI=1S/C8H18O/c1-5-7(3)8(4,9)6-2/h7,9H,5-6H2,1-4H3
- InChI Key
- FJXOYCIYKQJAAF-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCC(C)C(C)(O)CC
- Molecular Weight1
- 130.23
- CAS
- 19550-08-4
- Other Names
-
- 3-Hexanol, 3,4-dimethyl-
- 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).
- Ip : 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 | 0.5636 | Relay (1.0) Calculated Property | |
| ΔfG° | -119.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.29 | 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 |
| Ip | 1411.00 | NIST | |
| Tboil | 434.15 ± 1.50 | K | NIST |
| Tc | 627.99 | K | Relay (1.0) Calculated Property |
| Tfus | 239.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | 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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| 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 | [324.44; 461.08] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47217e+01 | |||
| Coefficient B | -3.69423e+03 | |||
| Coefficient C | -6.85070e+01 | |||
| Temperature range, min. | 324.44 | |||
| Temperature range, max. | 461.08 | |||
| Pvap | 1.33 | kPa | 324.44 | Calculated Property |
| Pvap | 2.99 | kPa | 339.62 | Calculated Property |
| Pvap | 6.16 | kPa | 354.80 | Calculated Property |
| Pvap | 11.80 | kPa | 369.99 | Calculated Property |
| Pvap | 21.23 | kPa | 385.17 | Calculated Property |
| Pvap | 36.21 | kPa | 400.35 | Calculated Property |
| Pvap | 58.93 | kPa | 415.53 | Calculated Property |
| Pvap | 92.07 | kPa | 430.72 | Calculated Property |
| Pvap | 138.77 | kPa | 445.90 | Calculated Property |
| Pvap | 202.63 | kPa | 461.08 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethyl-3-hexanol.
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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