- InChI
- InChI=1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3
- InChI Key
- LEACJMVNYZDSKR-UHFFFAOYSA-N
- Formula
- C20H42O
- SMILES
- CCCCCCCCCCC(CO)CCCCCCCC
- Molecular Weight1
- 298.55
- CAS
- 5333-42-6
- Other Names
-
- 2-Octyl-1-dodecanol
- 2-Octyldecanol
- 2-Octyldodecan-1-ol
- 2-Octyldodecanol
- 2-Octyldodecyl alcohol
- Eutanol G
- Exxal 20
- Fine Oxocol 2000
- Guerbet C20
- Isofol 20
- Jarcol I 20
- Kalcohl 200G
- Michel XO-150-20
- NSC 2405
- OHV 180
- Octyldodecanol
- Rilanit G 20
- Risonol 20SP
- Standamul G
- 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 | 1.0487 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.876 | Crippen Calculated Property | |
| McVol | 298.530 | ml/mol | McGowan Calculated Property |
| Pc | 1083.49 | kPa | Joback Calculated Property |
| Tboil | 613.39 | K | Relay (1.0) Calculated Property |
| Tc | 795.09 | K | Relay (1.0) Calculated Property |
| Tfus | 291.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.133 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.94; 1070.36] | 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 | -1.16830e+01 | |||
| Coefficient B | 1.94374e+00 | |||
| Coefficient C | -1.09780e-03 | |||
| Coefficient D | 2.36100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 441.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 549.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 645.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 730.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 806.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 874.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 933.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 985.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1030.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1070.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052543; 0.0000431] | Pa×s | [360.98; 643.26] |
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 | -1.61940e+01 | |||
| Coefficient B | 3.95105e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 360.98 | |||
| Temperature range, max. | 643.26 | |||
| η | 0.0052543 | Pa×s | 360.98 | Calculated Property |
| η | 0.0021904 | Pa×s | 392.34 | Calculated Property |
| η | 0.0010394 | Pa×s | 423.71 | Calculated Property |
| η | 0.0005466 | Pa×s | 455.07 | Calculated Property |
| η | 0.0003123 | Pa×s | 486.44 | Calculated Property |
| η | 0.0001909 | Pa×s | 517.80 | Calculated Property |
| η | 0.0001235 | Pa×s | 549.17 | Calculated Property |
| η | 0.0000837 | Pa×s | 580.53 | Calculated Property |
| η | 0.0000591 | Pa×s | 611.90 | Calculated Property |
| η | 0.0000431 | Pa×s | 643.26 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [482.55; 682.73] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45771e+01 | |||
| Coefficient B | -5.27559e+03 | |||
| Coefficient C | -1.13352e+02 | |||
| Temperature range, min. | 482.55 | |||
| Temperature range, max. | 682.73 | |||
| Pvap | 1.33 | kPa | 482.55 | Calculated Property |
| Pvap | 3.00 | kPa | 504.79 | Calculated Property |
| Pvap | 6.20 | kPa | 527.03 | Calculated Property |
| Pvap | 11.88 | kPa | 549.28 | Calculated Property |
| Pvap | 21.38 | kPa | 571.52 | Calculated Property |
| Pvap | 36.44 | kPa | 593.76 | Calculated Property |
| Pvap | 59.24 | kPa | 616.00 | Calculated Property |
| Pvap | 92.42 | kPa | 638.25 | Calculated Property |
| Pvap | 139.06 | kPa | 660.49 | Calculated Property |
| Pvap | 202.66 | kPa | 682.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Dodecanol, 2-octyl-.
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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