- InChI
- InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
- InChI Key
- REIUXOLGHVXAEO-UHFFFAOYSA-N
- Formula
- C15H32O
- SMILES
- CCCCCCCCCCCCCCCO
- Molecular Weight1
- 228.41
- CAS
- 629-76-5
- Other Names
-
- 1-pentadecanol
- N-PENTADECYL ALCOHOL
- Neodol 5
- Pentadecan-1-ol
- n-1-Pentadecanol
- pentadecanol
- pentadecyl alcohol
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.0150 | KDB | |
| ΔcH°solid | -9817.70 | kJ/mol | NIST |
| ΔfG° | -61.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -658.30 ± 0.60 | kJ/mol | NIST |
| ΔfusH° | [21.40; 103.50] | kJ/mol |
|
| ΔfusH° | 21.40 | kJ/mol | Heat capacities and derived thermodynamic functions of 1-dodecanol and 1-tridecanol between 10 K and 370 K and heat capacities of 1-pentadecanol and 1-heptadecanol between 300 K and 380 K and correlationos for the heat capacity and the entropy of liquid n-alcohols |
| ΔfusH° | 103.50 | kJ/mol | Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography |
| ΔvapH° | [102.50; 107.20] | kJ/mol |
|
| ΔvapH° | 103.50 ± 3.30 | kJ/mol | NIST |
| ΔvapH° | 102.50 | kJ/mol | NIST |
| ΔvapH° | 107.20 | kJ/mol | NIST |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | [-6.35; -6.35] |
|
|
| log10WS | -6.35 | Aq. Solubility Prediction | |
| log10WS | -6.35 | Estimated Solubility | |
| logPoct/wat | 5.070 | Crippen Calculated Property | |
| McVol | 228.080 | ml/mol | McGowan Calculated Property |
| Pc | 1520.00 | kPa | KDB |
| Inp | [296.98; 1794.00] |
|
|
| Inp | 1765.10 | NIST | |
| Inp | 1777.00 | NIST | |
| Inp | 1732.00 | NIST | |
| Inp | 1776.00 | NIST | |
| Inp | 1772.00 | NIST | |
| Inp | 1791.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Inp | 1768.00 | NIST | |
| Inp | 1772.00 | NIST | |
| Inp | 1775.00 | NIST | |
| Inp | 1775.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1787.00 | NIST | |
| Inp | 1788.90 | NIST | |
| Inp | 1789.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1774.00 | NIST | |
| Inp | 1787.00 | NIST | |
| Inp | 1749.00 | NIST | |
| Inp | 1787.00 | NIST | |
| Inp | 1775.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Inp | 1773.00 | NIST | |
| Inp | 1780.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1761.00 | NIST | |
| Inp | 1768.00 | NIST | |
| Inp | 1792.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Inp | 1794.00 | NIST | |
| Inp | 1794.00 | NIST | |
| Inp | 1755.00 | NIST | |
| Inp | 1789.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1774.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Inp | 1789.00 | NIST | |
| Inp | Outlier 296.98 | NIST | |
| Inp | Outlier 298.56 | NIST | |
| Inp | 1791.00 | NIST | |
| Inp | 1765.10 | NIST | |
| Inp | 1794.00 | NIST | |
| Inp | 1774.00 | NIST | |
| I | [2241.00; 2287.00] |
|
|
| I | 2241.00 | NIST | |
| I | 2278.00 | NIST | |
| I | 2250.00 | NIST | |
| I | 2254.00 | NIST | |
| I | 2257.00 | NIST | |
| I | 2272.00 | NIST | |
| I | 2286.00 | NIST | |
| I | 2243.00 | NIST | |
| I | 2279.00 | NIST | |
| I | 2287.00 | NIST | |
| I | 2287.00 | NIST | |
| I | 2254.00 | NIST | |
| I | 2272.00 | NIST | |
| Tboil | 578.00 | K | KDB |
| Tc | 722.50 | K | KDB |
| Tfus | [311.70; 318.98] | K |
|
| Tfus | 317.00 | K | KDB |
| Tfus | 318.98 | K | Aq. Solubility Prediction |
| Tfus | 317.65 ± 0.40 | K | NIST |
| Tfus | Outlier 311.70 ± 2.00 | K | NIST |
| Tfus | 316.92 ± 0.05 | K | NIST |
| Tfus | 316.61 ± 0.05 | K | NIST |
| Tfus | 316.92 ± 0.05 | K | NIST |
| Tfus | 316.61 ± 0.05 | K | NIST |
| Vc | 0.894 | m3/kmol | KDB |
| Zc | 0.2263340 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 567.40 | J/mol×K | 323.15 | NIST |
| Cp,solid | [400.00; 537.30] | J/mol×K | [298.15; 358.00] |
|
| Cp,solid | 400.00 | J/mol×K | 298.15 | NIST |
| Cp,solid | 535.00 | J/mol×K | 318.00 | NIST |
| Cp,solid | 537.30 | J/mol×K | 358.00 | NIST |
| ΔfusH | [23.64; 54.73] | kJ/mol | [316.00; 316.90] |
|
| ΔfusH | 23.64 | kJ/mol | 316.00 | NIST |
| ΔfusH | 29.60 | kJ/mol | 316.40 | NIST |
| ΔfusH | 54.73 | kJ/mol | 316.60 | NIST |
| ΔfusH | 54.73 | kJ/mol | 316.60 | NIST |
| ΔfusH | 54.73 | kJ/mol | 316.60 | NIST |
| ΔfusH | 53.62 | kJ/mol | 316.90 | NIST |
| ΔvapH | [72.40; 95.50] | kJ/mol | [338.50; 519.00] |
|
| ΔvapH | 95.50 | kJ/mol | 338.50 | NIST |
| ΔvapH | 92.40 | kJ/mol | 368.00 | NIST |
| ΔvapH | 72.40 | kJ/mol | 518.50 | NIST |
| ΔvapH | 75.00 | kJ/mol | 519.00 | NIST |
| ΔfusS | [74.81; 172.86] | J/mol×K | [316.00; 316.60] |
|
| ΔfusS | 74.81 | J/mol×K | 316.00 | NIST |
| ΔfusS | 172.86 | J/mol×K | 316.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.19; 811.86] | 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 | -5.45600e+00 | |||
| Coefficient B | 1.46282e+00 | |||
| Coefficient C | -8.22600e-04 | |||
| Coefficient D | 1.77100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 336.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 416.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 489.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 554.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 611.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 662.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 707.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 747.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 781.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 811.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0113144; 0.0001982] | Pa×s | [317.24; 505.75] |
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 | -1.53328e+01 | |||
| Coefficient B | 3.44243e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 317.24 | |||
| Temperature range, max. | 505.75 | |||
| η | 0.0113144 | Pa×s | 317.24 | Calculated Property |
| η | 0.0057778 | Pa×s | 338.19 | Calculated Property |
| η | 0.0031911 | Pa×s | 359.13 | Calculated Property |
| η | 0.0018816 | Pa×s | 380.08 | Calculated Property |
| η | 0.0011724 | Pa×s | 401.02 | Calculated Property |
| η | 0.0007656 | Pa×s | 421.97 | Calculated Property |
| η | 0.0005206 | Pa×s | 442.91 | Calculated Property |
| η | 0.0003665 | Pa×s | 463.86 | Calculated Property |
| η | 0.0002660 | Pa×s | 484.80 | Calculated Property |
| η | 0.0001982 | Pa×s | 505.75 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [453.72; 600.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.72985e+01 | |||
| Coefficient B | -5.96038e+03 | |||
| Coefficient C | -1.03335e+02 | |||
| Temperature range, min. | 453.72 | |||
| Temperature range, max. | 600.57 | |||
| Pvap | 1.33 | kPa | 453.72 | Calculated Property |
| Pvap | 2.84 | kPa | 470.04 | Calculated Property |
| Pvap | 5.68 | kPa | 486.35 | Calculated Property |
| Pvap | 10.73 | kPa | 502.67 | Calculated Property |
| Pvap | 19.27 | kPa | 518.99 | Calculated Property |
| Pvap | 33.13 | kPa | 535.30 | Calculated Property |
| Pvap | 54.74 | kPa | 551.62 | Calculated Property |
| Pvap | 87.32 | kPa | 567.94 | Calculated Property |
| Pvap | 134.94 | kPa | 584.25 | Calculated Property |
| Pvap | 202.65 | kPa | 600.57 | Calculated Property |
| Pvap | [0.93; 143.64] | kPa | [438.15; 600.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.55623e+02 | |||
| Coefficient B | -2.20313e+04 | |||
| Coefficient C | -3.41892e+01 | |||
| Coefficient D | 1.32387e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 438.15 | |||
| Temperature range, max. | 600.15 | |||
| Pvap | 0.93 | kPa | 438.15 | Calculated Property |
| Pvap | 2.11 | kPa | 456.15 | Calculated Property |
| Pvap | 4.38 | kPa | 474.15 | Calculated Property |
| Pvap | 8.44 | kPa | 492.15 | Calculated Property |
| Pvap | 15.23 | kPa | 510.15 | Calculated Property |
| Pvap | 25.96 | kPa | 528.15 | Calculated Property |
| Pvap | 42.17 | kPa | 546.15 | Calculated Property |
| Pvap | 65.68 | kPa | 564.15 | Calculated Property |
| Pvap | 98.65 | kPa | 582.15 | Calculated Property |
| Pvap | 143.64 | kPa | 600.15 | Calculated Property |
Similar Compounds
Find more compounds similar to n-Pentadecanol.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Heat capacities and derived thermodynamic functions of 1-dodecanol and 1-tridecanol between 10 K and 370 K and heat capacities of 1-pentadecanol and 1-heptadecanol between 300 K and 380 K and correlationos for the heat capacity and the entropy of liquid n-alcohols
- Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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