- InChI
- InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3
- InChI Key
- XULHFMYCBKQGEE-UHFFFAOYSA-N
- Formula
- C16H34O
- SMILES
- CCCCCCCCC(CO)CCCCCC
- Molecular Weight1
- 242.44
- CAS
- 2425-77-6
- Other Names
-
- 2-Hexyl-1-decanol
- 2-Hexyldecanol
- 2-Hexyldecyl alcohol
- 2-hexyldecan-1-ol
- Exxal 16
- Guerbet C16
- Guerbet hexadecanol
- Guerbitol 16
- Isofol 16
- Jarcol I 16
- NJCOL 160BR
- NJCOL 160BRA
- NSC 2399
- Rilanit G 16
- 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.
- Ip : 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 | 0.9082 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.316 | Crippen Calculated Property | |
| McVol | 242.170 | ml/mol | McGowan Calculated Property |
| Pc | 1419.71 | kPa | Joback Calculated Property |
| Inp | 1504.00 | NIST | |
| Ip | 2760.00 | NIST | |
| Tboil | 584.31 | K | Relay (1.0) Calculated Property |
| Tc | 759.88 | K | Relay (1.0) Calculated Property |
| Tfus | 245.00 ± 6.00 | K | NIST |
| Vc | 0.905 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.09; 863.99] | 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 | -8.04700e+00 | |||
| Coefficient B | 1.56374e+00 | |||
| Coefficient C | -8.80200e-04 | |||
| Coefficient D | 1.88500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 357.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 443.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 589.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 651.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 705.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 753.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 795.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 832.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 863.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.3617549; 0.0000852] | Pa×s | [245.00; 573.19] |
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 | -1.56062e+01 | |||
| Coefficient B | 3.57441e+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. | 245.00 | |||
| Temperature range, max. | 573.19 | |||
| η | 0.3617549 | Pa×s | 245.00 | Calculated Property |
| η | 0.0546417 | Pa×s | 281.47 | Calculated Property |
| η | 0.0127333 | Pa×s | 317.93 | Calculated Property |
| η | 0.0040044 | Pa×s | 354.40 | Calculated Property |
| η | 0.0015627 | Pa×s | 390.86 | Calculated Property |
| η | 0.0007161 | Pa×s | 427.33 | Calculated Property |
| η | 0.0003710 | Pa×s | 463.80 | Calculated Property |
| η | 0.0002115 | Pa×s | 500.26 | Calculated Property |
| η | 0.0001302 | Pa×s | 536.73 | Calculated Property |
| η | 0.0000852 | Pa×s | 573.19 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [441.82; 624.39] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47395e+01 | |||
| Coefficient B | -4.95152e+03 | |||
| Coefficient C | -9.92000e+01 | |||
| Temperature range, min. | 441.82 | |||
| Temperature range, max. | 624.39 | |||
| Pvap | 1.33 | kPa | 441.82 | Calculated Property |
| Pvap | 2.99 | kPa | 462.11 | Calculated Property |
| Pvap | 6.16 | kPa | 482.39 | Calculated Property |
| Pvap | 11.79 | kPa | 502.68 | Calculated Property |
| Pvap | 21.22 | kPa | 522.96 | Calculated Property |
| Pvap | 36.19 | kPa | 543.25 | Calculated Property |
| Pvap | 58.90 | kPa | 563.53 | Calculated Property |
| Pvap | 92.04 | kPa | 583.82 | Calculated Property |
| Pvap | 138.75 | kPa | 604.10 | Calculated Property |
| Pvap | 202.65 | kPa | 624.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Decanol, 2-hexyl-.
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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