- InChI
- InChI=1S/C10H22O/c1-3-4-5-6-7-8-10(2)9-11/h10-11H,3-9H2,1-2H3
- InChI Key
- BEGNRPGEHZBNKK-JTQLQIEISA-N
- Formula
- C10H22O
- SMILES
- CCCCCCCC(C)CO
- Molecular Weight1
- 158.28
- 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).
- NFPA Fire : NFPA Fire Rating.
- 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 | 0.7253 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -409.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.975 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Tboil | 490.66 | K | Relay (1.0) Calculated Property |
| Tc | 678.10 | K | Relay (1.0) Calculated Property |
| Tfus | 235.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | 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 | [0.0660457; 0.0001974] | Pa×s | [248.28; 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. | 248.28 | |||
| Temperature range, max. | 477.06 | |||
| η | 0.0660457 | Pa×s | 248.28 | Calculated Property |
| η | 0.0214257 | Pa×s | 273.70 | Calculated Property |
| η | 0.0084163 | Pa×s | 299.12 | Calculated Property |
| η | 0.0038272 | Pa×s | 324.54 | Calculated Property |
| η | 0.0019515 | Pa×s | 349.96 | Calculated Property |
| η | 0.0010901 | Pa×s | 375.38 | Calculated Property |
| η | 0.0006556 | Pa×s | 400.80 | Calculated Property |
| η | 0.0004189 | Pa×s | 426.22 | Calculated Property |
| η | 0.0002815 | Pa×s | 451.64 | Calculated Property |
| η | 0.0001974 | Pa×s | 477.06 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [381.40; 510.55] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.71058e+01 | |||
| Coefficient B | -5.09920e+03 | |||
| Coefficient C | -7.82040e+01 | |||
| Temperature range, min. | 381.40 | |||
| Temperature range, max. | 510.55 | |||
| Pvap | 1.33 | kPa | 381.40 | Calculated Property |
| Pvap | 2.85 | kPa | 395.75 | Calculated Property |
| Pvap | 5.71 | kPa | 410.10 | Calculated Property |
| Pvap | 10.79 | kPa | 424.45 | Calculated Property |
| Pvap | 19.39 | kPa | 438.80 | Calculated Property |
| Pvap | 33.31 | kPa | 453.15 | Calculated Property |
| Pvap | 54.99 | kPa | 467.50 | Calculated Property |
| Pvap | 87.61 | kPa | 481.85 | Calculated Property |
| Pvap | 135.18 | kPa | 496.20 | Calculated Property |
| Pvap | 202.65 | kPa | 510.55 | Calculated Property |
Similar Compounds
Find more compounds similar to ISODECANOL.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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