- 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
- 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 | 0.6904 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) 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 | 673.32 | K | Relay (1.0) Calculated Property |
| Tfus | 269.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.576 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.66; 555.38] | 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 | -2.53840e+01 | |||
| Coefficient B | 1.11366e+00 | |||
| Coefficient C | -7.22400e-04 | |||
| Coefficient D | 1.89500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 228.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 286.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 337.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 382.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 421.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 456.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 486.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 512.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 535.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 555.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0428890; 0.0001974] | Pa×s | [265.70; 478.84] |
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 | -1.52386e+01 | |||
| Coefficient B | 3.21217e+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. | 265.70 | |||
| Temperature range, max. | 478.84 | |||
| η | 0.0428890 | Pa×s | 265.70 | Calculated Property |
| η | 0.0159464 | Pa×s | 289.38 | Calculated Property |
| η | 0.0068863 | Pa×s | 313.07 | Calculated Property |
| η | 0.0033466 | Pa×s | 336.75 | Calculated Property |
| η | 0.0017882 | Pa×s | 360.43 | Calculated Property |
| η | 0.0010322 | Pa×s | 384.11 | Calculated Property |
| η | 0.0006351 | Pa×s | 407.80 | Calculated Property |
| η | 0.0004122 | Pa×s | 431.48 | Calculated Property |
| η | 0.0002798 | Pa×s | 455.16 | Calculated Property |
| η | 0.0001974 | Pa×s | 478.84 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [371.92; 506.56] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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