- InChI
- InChI=1S/C10H22O/c1-4-9(5-2)7-8-10(11)6-3/h9-11H,4-8H2,1-3H3
- InChI Key
- JWZFCOOWAQHCBP-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CCC(O)CCC(CC)CC
- Molecular Weight1
- 158.29
- CAS
- 19781-27-2
- Other Names
-
- 6-Ethyl-3-octanol
- 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 | 0.6424 | Relay (1.0) Calculated Property | |
| ΔfG° | -108.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.974 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Tboil | 478.66 | K | Relay (1.0) Calculated Property |
| Tc | 661.56 | K | Relay (1.0) Calculated Property |
| Tfus | 238.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [381.07; 456.11] | J/mol×K | [519.50; 683.75] | 
|
| Cp,gas | 381.07 | J/mol×K | 519.50 | Joback Calculated Property |
| Cp,gas | 394.90 | J/mol×K | 546.87 | Joback Calculated Property |
| Cp,gas | 408.18 | J/mol×K | 574.25 | Joback Calculated Property |
| Cp,gas | 420.93 | J/mol×K | 601.62 | Joback Calculated Property |
| Cp,gas | 433.16 | J/mol×K | 629.00 | Joback Calculated Property |
| Cp,gas | 444.88 | J/mol×K | 656.37 | Joback Calculated Property |
| Cp,gas | 456.11 | J/mol×K | 683.75 | Joback Calculated Property |
| η | [0.0001109; 0.1480969] | Pa×s | [233.28; 519.50] |
|
| η | 0.1480969 | Pa×s | 233.28 | Joback Calculated Property |
| η | 0.0161218 | Pa×s | 280.98 | Joback Calculated Property |
| η | 0.0033408 | Pa×s | 328.69 | Joback Calculated Property |
| η | 0.0010317 | Pa×s | 376.39 | Joback Calculated Property |
| η | 0.0004150 | Pa×s | 424.09 | Joback Calculated Property |
| η | 0.0002007 | Pa×s | 471.80 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 519.50 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [364.60; 516.19] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49962e+01 | |||
| Coefficient B | -4.29835e+03 | |||
| Coefficient C | -7.23660e+01 | |||
| Temperature range, min. | 364.60 | |||
| Temperature range, max. | 516.19 | |||
| Pvap | 1.33 | kPa | 364.60 | Calculated Property |
| Pvap | 2.97 | kPa | 381.44 | Calculated Property |
| Pvap | 6.10 | kPa | 398.29 | Calculated Property |
| Pvap | 11.66 | kPa | 415.13 | Calculated Property |
| Pvap | 20.97 | kPa | 431.97 | Calculated Property |
| Pvap | 35.81 | kPa | 448.82 | Calculated Property |
| Pvap | 58.39 | kPa | 465.66 | Calculated Property |
| Pvap | 91.46 | kPa | 482.50 | Calculated Property |
| Pvap | 138.29 | kPa | 499.35 | Calculated Property |
| Pvap | 202.63 | kPa | 516.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octanol, 6-ethyl-.
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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