- InChI
- InChI=1S/C10H22O/c1-5-7-10(4,11)8-6-9(2)3/h9,11H,5-8H2,1-4H3
- InChI Key
- OTISWHNJCUMBFI-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CCCC(C)(O)CCC(C)C
- Molecular Weight1
- 158.29
- CAS
- 19781-13-6
- Other Names
-
- 4,7-Dimethyl-4-octanol
- 4,7-dimethyloctan-4-ol
- 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).
- Inp : Non-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 | 0.6465 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.974 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Inp | [1066.00; 1066.00] |
|
|
| Inp | 1066.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Tboil | 465.15 ± 4.00 | K | NIST |
| Tc | 635.99 | K | Relay (1.0) Calculated Property |
| Tfus | 248.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.78; 460.72] | J/mol×K | [516.71; 686.53] |
|
| Cp,gas | 383.78 | J/mol×K | 516.71 | Joback Calculated Property |
| Cp,gas | 398.19 | J/mol×K | 545.01 | Joback Calculated Property |
| Cp,gas | 411.92 | J/mol×K | 573.32 | Joback Calculated Property |
| Cp,gas | 425.02 | J/mol×K | 601.62 | Joback Calculated Property |
| Cp,gas | 437.50 | J/mol×K | 629.92 | Joback Calculated Property |
| Cp,gas | 449.39 | J/mol×K | 658.22 | Joback Calculated Property |
| Cp,gas | 460.72 | J/mol×K | 686.53 | Joback Calculated Property |
| η | [0.0001136; 0.0899105] | Pa×s | [250.70; 516.71] |
|
| η | 0.0899105 | Pa×s | 250.70 | Joback Calculated Property |
| η | 0.0128169 | Pa×s | 295.03 | Joback Calculated Property |
| η | 0.0030395 | Pa×s | 339.37 | Joback Calculated Property |
| η | 0.0010052 | Pa×s | 383.71 | Joback Calculated Property |
| η | 0.0004181 | Pa×s | 428.04 | Joback Calculated Property |
| η | 0.0002050 | Pa×s | 472.38 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 516.71 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [359.12; 489.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64084e+01 | |||
| Coefficient B | -4.65341e+03 | |||
| Coefficient C | -7.04620e+01 | |||
| Temperature range, min. | 359.12 | |||
| Temperature range, max. | 489.80 | |||
| Pvap | 1.33 | kPa | 359.12 | Calculated Property |
| Pvap | 2.89 | kPa | 373.64 | Calculated Property |
| Pvap | 5.82 | kPa | 388.16 | Calculated Property |
| Pvap | 11.04 | kPa | 402.68 | Calculated Property |
| Pvap | 19.84 | kPa | 417.20 | Calculated Property |
| Pvap | 34.03 | kPa | 431.72 | Calculated Property |
| Pvap | 55.98 | kPa | 446.24 | Calculated Property |
| Pvap | 88.74 | kPa | 460.76 | Calculated Property |
| Pvap | 136.10 | kPa | 475.28 | Calculated Property |
| Pvap | 202.63 | kPa | 489.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octanol, 4,7-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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