- InChI
- InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m1/s1
- InChI Key
- QNVRIHYSUZMSGM-ZCFIWIBFSA-N
- Formula
- C6H14O
- SMILES
- CCCCC(C)O
- Molecular Weight1
- 102.17
- CAS
- 52019-78-0
- Other Names
-
- (S)-(+)-2-Hexanol
- 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 | 0.5800 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.557 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| Tboil | 411.20 | K | NIST |
| Tc | 575.08 | K | Relay (1.0) Calculated Property |
| Tfus | 213.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.74; 261.25] | J/mol×K | [428.42; 592.97] | 
|
| Cp,gas | 207.74 | J/mol×K | 428.42 | Joback Calculated Property |
| Cp,gas | 217.54 | J/mol×K | 455.85 | Joback Calculated Property |
| Cp,gas | 226.97 | J/mol×K | 483.27 | Joback Calculated Property |
| Cp,gas | 236.05 | J/mol×K | 510.70 | Joback Calculated Property |
| Cp,gas | 244.78 | J/mol×K | 538.12 | Joback Calculated Property |
| Cp,gas | 253.18 | J/mol×K | 565.55 | Joback Calculated Property |
| Cp,gas | 261.25 | J/mol×K | 592.97 | Joback Calculated Property |
| η | [0.0002400; 0.2179366] | Pa×s | [203.20; 428.42] |
|
| η | 0.2179366 | Pa×s | 203.20 | Joback Calculated Property |
| η | 0.0289027 | Pa×s | 240.74 | Joback Calculated Property |
| η | 0.0066108 | Pa×s | 278.27 | Joback Calculated Property |
| η | 0.0021472 | Pa×s | 315.81 | Joback Calculated Property |
| η | 0.0008856 | Pa×s | 353.35 | Joback Calculated Property |
| η | 0.0004330 | Pa×s | 390.88 | Joback Calculated Property |
| η | 0.0002400 | Pa×s | 428.42 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [316.32; 433.19] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.65192e+01 | |||
| Coefficient B | -4.23210e+03 | |||
| Coefficient C | -5.55890e+01 | |||
| Temperature range, min. | 316.32 | |||
| Temperature range, max. | 433.19 | |||
| Pvap | 1.33 | kPa | 316.32 | Calculated Property |
| Pvap | 2.88 | kPa | 329.31 | Calculated Property |
| Pvap | 5.80 | kPa | 342.29 | Calculated Property |
| Pvap | 11.00 | kPa | 355.28 | Calculated Property |
| Pvap | 19.77 | kPa | 368.26 | Calculated Property |
| Pvap | 33.91 | kPa | 381.25 | Calculated Property |
| Pvap | 55.82 | kPa | 394.23 | Calculated Property |
| Pvap | 88.55 | kPa | 407.22 | Calculated Property |
| Pvap | 135.94 | kPa | 420.20 | Calculated Property |
| Pvap | 202.63 | kPa | 433.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanol, (S)-.
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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