- InChI
- InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
- InChI Key
- ICEQLCZWZXUUIJ-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CCCCCCCC(O)CC
- Molecular Weight1
- 158.29
- CAS
- 1565-81-7
- 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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- 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 | 0.7033 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.118 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| ρc | [245.34; 245.34] | kg/m3 |
|
| ρc | 245.34 | kg/m3 | NIST |
| ρc | 245.34 ± 6.33 | kg/m3 | NIST |
| Inp | [1184.00; 1197.00] |
|
|
| Inp | 1189.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1184.00 | NIST | |
| Ip | [1563.00; 1632.00] |
|
|
| Ip | 1563.00 | NIST | |
| Ip | 1570.00 | NIST | |
| Ip | 1632.00 | NIST | |
| Ip | 1602.00 | NIST | |
| Ip | 1632.00 | NIST | |
| Ip | 1602.00 | NIST | |
| Ip | 1563.00 | NIST | |
| Tboil | 481.66 | K | Relay (1.0) Calculated Property |
| Tc | [666.00; 666.11] | K |
|
| Tc | 666.10 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value |
| Tc | 666.00 ± 1.00 | K | NIST |
| Tc | 666.10 | K | NIST |
| Tc | 666.11 ± 0.30 | K | NIST |
| Tfus | 268.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | [0.643; 0.643] | m3/kmol |
|
| Vc | 0.643 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 Compiled value |
| Vc | 0.643 | m3/kmol | NIST |
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 | [0.0269010; 0.0002285] | Pa×s | [268.15; 466.25] |
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. | 268.15 | |||
| Temperature range, max. | 466.25 | |||
| η | 0.0269010 | Pa×s | 268.15 | Calculated Property |
| η | 0.0114821 | Pa×s | 290.16 | Calculated Property |
| η | 0.0055261 | Pa×s | 312.17 | Calculated Property |
| η | 0.0029285 | Pa×s | 334.18 | Calculated Property |
| η | 0.0016787 | Pa×s | 356.20 | Calculated Property |
| η | 0.0010266 | Pa×s | 378.21 | Calculated Property |
| η | 0.0006628 | Pa×s | 400.22 | Calculated Property |
| η | 0.0004478 | Pa×s | 422.23 | Calculated Property |
| η | 0.0003146 | Pa×s | 444.24 | Calculated Property |
| η | 0.0002285 | Pa×s | 466.25 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [373.40; 513.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.60231e+01 | |||
| Coefficient B | -4.68879e+03 | |||
| Coefficient C | -7.54240e+01 | |||
| Temperature range, min. | 373.40 | |||
| Temperature range, max. | 513.15 | |||
| Pvap | 1.33 | kPa | 373.40 | Calculated Property |
| Pvap | 2.91 | kPa | 388.93 | Calculated Property |
| Pvap | 5.89 | kPa | 404.46 | Calculated Property |
| Pvap | 11.19 | kPa | 419.98 | Calculated Property |
| Pvap | 20.12 | kPa | 435.51 | Calculated Property |
| Pvap | 34.47 | kPa | 451.04 | Calculated Property |
| Pvap | 56.58 | kPa | 466.57 | Calculated Property |
| Pvap | 89.42 | kPa | 482.09 | Calculated Property |
| Pvap | 136.65 | kPa | 497.62 | Calculated Property |
| Pvap | 202.63 | kPa | 513.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Decanol.
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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 4 ChEDL chemicals 1.5.2, from Gude, M.; Teja, A. S. Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols. J. Chem. Eng. Data 1995, 40, 1025-1036.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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