- InChI
- InChI=1S/C10H22O/c1-8(2)6-10(5,11)7-9(3)4/h8-9,11H,6-7H2,1-5H3
- InChI Key
- QSVYJSJPLCSACO-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CC(C)CC(C)(O)CC(C)C
- Molecular Weight1
- 158.28
- CAS
- 60836-07-9
- Other Names
-
- 2,4,6-Trimethyl-4-heptanol
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -105.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.46 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.830 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Tboil | 516.27 | K | Joback Calculated Property |
| Tc | 689.38 | K | Joback Calculated Property |
| Tfus | 235.70 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.00; 462.55] | J/mol×K | [516.27; 689.38] | 
|
| Cp,gas | 384.00 | J/mol×K | 516.27 | Joback Calculated Property |
| Cp,gas | 398.75 | J/mol×K | 545.12 | Joback Calculated Property |
| Cp,gas | 412.80 | J/mol×K | 573.97 | Joback Calculated Property |
| Cp,gas | 426.18 | J/mol×K | 602.82 | Joback Calculated Property |
| Cp,gas | 438.91 | J/mol×K | 631.67 | Joback Calculated Property |
| Cp,gas | 451.03 | J/mol×K | 660.53 | Joback Calculated Property |
| Cp,gas | 462.55 | J/mol×K | 689.38 | Joback Calculated Property |
| η | [0.0001075; 0.2106679] | Pa×s | [235.70; 516.27] |
|
| η | 0.2106679 | Pa×s | 235.70 | Joback Calculated Property |
| η | 0.0209261 | Pa×s | 282.46 | Joback Calculated Property |
| η | 0.0040057 | Pa×s | 329.22 | Joback Calculated Property |
| η | 0.0011568 | Pa×s | 375.99 | Joback Calculated Property |
| η | 0.0004397 | Pa×s | 422.75 | Joback Calculated Property |
| η | 0.0002027 | Pa×s | 469.51 | Joback Calculated Property |
| η | 0.0001075 | Pa×s | 516.27 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 454.20 | K | 100.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [351.12; 479.40] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64121e+01 | |||
| Coefficient B | -4.57030e+03 | |||
| Coefficient C | -6.76820e+01 | |||
| Temperature range, min. | 351.12 | |||
| Temperature range, max. | 479.40 | |||
| Pvap | 1.33 | kPa | 351.12 | Calculated Property |
| Pvap | 2.89 | kPa | 365.37 | Calculated Property |
| Pvap | 5.82 | kPa | 379.63 | Calculated Property |
| Pvap | 11.04 | kPa | 393.88 | Calculated Property |
| Pvap | 19.84 | kPa | 408.13 | Calculated Property |
| Pvap | 34.03 | kPa | 422.39 | Calculated Property |
| Pvap | 55.98 | kPa | 436.64 | Calculated Property |
| Pvap | 88.75 | kPa | 450.89 | Calculated Property |
| Pvap | 136.11 | kPa | 465.15 | Calculated Property |
| Pvap | 202.66 | kPa | 479.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptanol, 2,4,6-trimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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