- InChI
- InChI=1S/C9H20O/c1-7(2)5-6-9(10)8(3)4/h7-10H,5-6H2,1-4H3
- InChI Key
- XZDMJRIWJSNEGC-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CC(C)CCC(O)C(C)C
- Molecular Weight1
- 144.25
- CAS
- 19549-73-6
- Other Names
-
- 2,6-Dimethyl-3-heptanol
- 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 | 0.6035 | Relay (1.0) Calculated Property | |
| ΔfG° | -119.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.440 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2587.22 | kPa | Joback Calculated Property |
| Tboil | [444.15; 448.65] | K |
|
| Tboil | 444.15 ± 5.00 | K | NIST |
| Tboil | 448.65 ± 4.00 | K | NIST |
| Tboil | 448.15 ± 5.00 | K | NIST |
| Tc | 632.67 | K | Relay (1.0) Calculated Property |
| Tfus | 262.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.06; 407.40] | J/mol×K | [496.38; 664.87] |
|
| Cp,gas | 335.06 | J/mol×K | 496.38 | Joback Calculated Property |
| Cp,gas | 348.42 | J/mol×K | 524.46 | Joback Calculated Property |
| Cp,gas | 361.24 | J/mol×K | 552.54 | Joback Calculated Property |
| Cp,gas | 373.54 | J/mol×K | 580.63 | Joback Calculated Property |
| Cp,gas | 385.32 | J/mol×K | 608.71 | Joback Calculated Property |
| Cp,gas | 396.60 | J/mol×K | 636.79 | Joback Calculated Property |
| Cp,gas | 407.40 | J/mol×K | 664.87 | Joback Calculated Property |
| η | [0.0001265; 0.5757064] | Pa×s | [207.01; 496.38] |
|
| η | 0.5757064 | Pa×s | 207.01 | Joback Calculated Property |
| η | 0.0375451 | Pa×s | 255.24 | Joback Calculated Property |
| η | 0.0058313 | Pa×s | 303.47 | Joback Calculated Property |
| η | 0.0015094 | Pa×s | 351.69 | Joback Calculated Property |
| η | 0.0005412 | Pa×s | 399.92 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 448.15 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 496.38 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [345.52; 466.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.69034e+01 | |||
| Coefficient B | -4.64883e+03 | |||
| Coefficient C | -6.57360e+01 | |||
| Temperature range, min. | 345.52 | |||
| Temperature range, max. | 466.78 | |||
| Pvap | 1.33 | kPa | 345.52 | Calculated Property |
| Pvap | 2.86 | kPa | 358.99 | Calculated Property |
| Pvap | 5.74 | kPa | 372.47 | Calculated Property |
| Pvap | 10.86 | kPa | 385.94 | Calculated Property |
| Pvap | 19.52 | kPa | 399.41 | Calculated Property |
| Pvap | 33.51 | kPa | 412.89 | Calculated Property |
| Pvap | 55.27 | kPa | 426.36 | Calculated Property |
| Pvap | 87.93 | kPa | 439.83 | Calculated Property |
| Pvap | 135.45 | kPa | 453.31 | Calculated Property |
| Pvap | 202.66 | kPa | 466.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Heptanol, 2,6-dimethyl-.
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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