- InChI
- InChI=1S/C10H22O/c1-4-5-6-7-8-10(2,3)9-11/h11H,4-9H2,1-3H3
- InChI Key
- KEXGXAGJHHCTKD-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CCCCCCC(C)(C)CO
- Molecular Weight1
- 158.28
- CAS
- 2370-14-1
- Other Names
-
- 2,2-Dimethyl-1-octanol
- 2,2-Dimethyl-1-octanol; 2,2-Dimethyloctanol
- 2,2-Dimethyloctanol
- 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).
- 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° | -100.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -410.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.975 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Tboil | 481.15 ± 3.00 | K | NIST |
| Tc | 683.80 | K | Joback Calculated Property |
| Tfus | 265.70 | K | Joback Calculated Property |
| Vc | 0.604 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.55; 458.94] | J/mol×K | [517.15; 683.80] | 
|
| Cp,gas | 383.55 | J/mol×K | 517.15 | Joback Calculated Property |
| Cp,gas | 397.63 | J/mol×K | 544.92 | Joback Calculated Property |
| Cp,gas | 411.07 | J/mol×K | 572.70 | Joback Calculated Property |
| Cp,gas | 423.89 | J/mol×K | 600.47 | Joback Calculated Property |
| Cp,gas | 436.13 | J/mol×K | 628.25 | Joback Calculated Property |
| Cp,gas | 447.81 | J/mol×K | 656.02 | Joback Calculated Property |
| Cp,gas | 458.94 | J/mol×K | 683.80 | Joback Calculated Property |
| η | [0.0001201; 0.0428890] | Pa×s | [265.70; 517.15] |
|
| η | 0.0428890 | Pa×s | 265.70 | Joback Calculated Property |
| η | 0.0082611 | Pa×s | 307.61 | Joback Calculated Property |
| η | 0.0023619 | Pa×s | 349.52 | Joback Calculated Property |
| η | 0.0008829 | Pa×s | 391.43 | Joback Calculated Property |
| η | 0.0003993 | Pa×s | 433.33 | Joback Calculated Property |
| η | 0.0002077 | Pa×s | 475.24 | Joback Calculated Property |
| η | 0.0001201 | Pa×s | 517.15 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [371.92; 506.56] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63942e+01 | |||
| Coefficient B | -4.78381e+03 | |||
| Coefficient C | -7.49100e+01 | |||
| Temperature range, min. | 371.92 | |||
| Temperature range, max. | 506.56 | |||
| Pvap | 1.33 | kPa | 371.92 | Calculated Property |
| Pvap | 2.89 | kPa | 386.88 | Calculated Property |
| Pvap | 5.82 | kPa | 401.84 | Calculated Property |
| Pvap | 11.04 | kPa | 416.80 | Calculated Property |
| Pvap | 19.86 | kPa | 431.76 | Calculated Property |
| Pvap | 34.05 | kPa | 446.72 | Calculated Property |
| Pvap | 56.01 | kPa | 461.68 | Calculated Property |
| Pvap | 88.78 | kPa | 476.64 | Calculated Property |
| Pvap | 136.14 | kPa | 491.60 | Calculated Property |
| Pvap | 202.66 | kPa | 506.56 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octanol, 2,2-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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