- InChI
- InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3
- InChI Key
- PLLBRTOLHQQAQQ-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CC(C)CCCCCCCO
- Molecular Weight1
- 158.29
- CAS
- 25339-17-7
- 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).
- 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 | 0.7474 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.975 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Tboil | 502.75 | K | Relay (1.0) Calculated Property |
| Tc | 688.29 | K | Relay (1.0) Calculated Property |
| Tfus | 278.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.588 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.81; 554.45] | 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 | -2.59300e+00 | |||
| Coefficient B | 9.93740e-01 | |||
| Coefficient C | -5.53800e-04 | |||
| Coefficient D | 1.17100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 229.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 284.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 334.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 378.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 417.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 452.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 483.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 510.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 533.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 554.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0179695; 0.0001974] | Pa×s | [278.15; 477.06] |
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 | -1.48386e+01 | |||
| Coefficient B | 3.00945e+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. | 278.15 | |||
| Temperature range, max. | 477.06 | |||
| η | 0.0179695 | Pa×s | 278.15 | Calculated Property |
| η | 0.0081033 | Pa×s | 300.25 | Calculated Property |
| η | 0.0040758 | Pa×s | 322.35 | Calculated Property |
| η | 0.0022390 | Pa×s | 344.45 | Calculated Property |
| η | 0.0013222 | Pa×s | 366.55 | Calculated Property |
| η | 0.0008289 | Pa×s | 388.65 | Calculated Property |
| η | 0.0005465 | Pa×s | 410.76 | Calculated Property |
| η | 0.0003759 | Pa×s | 432.86 | Calculated Property |
| η | 0.0002682 | Pa×s | 454.96 | Calculated Property |
| η | 0.0001974 | Pa×s | 477.06 | Calculated Property |
Similar Compounds
Find more compounds similar to Isodecanol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
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