- InChI
- InChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
- InChI Key
- GJBXIPOYHVMPQJ-UHFFFAOYSA-N
- Formula
- C16H34O2
- SMILES
- OCCCCCCCCCCCCCCCCO
- Molecular Weight1
- 258.44
- CAS
- 23079-20-1
- Other Names
-
- 1,16-dihydroxyhexadecane
- hexadecane-1,16-diol
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 1.1427 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.432 | Crippen Calculated Property | |
| McVol | 248.040 | ml/mol | McGowan Calculated Property |
| Pc | 1514.03 | kPa | Joback Calculated Property |
| Tboil | 606.09 | K | Relay (1.0) Calculated Property |
| Tc | 811.83 | K | Relay (1.0) Calculated Property |
| Tfus | 366.00 | K | Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect |
| Vc | 0.973 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 163.30 | kJ/mol | 298.15 | Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 471.20 | K | 0.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [369.90; 882.13] | 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 | -1.07400e+00 | |||
| Coefficient B | 1.59180e+00 | |||
| Coefficient C | -9.07400e-04 | |||
| Coefficient D | 1.98800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 369.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 457.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 535.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 605.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 667.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 722.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 770.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 812.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 849.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 882.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0102123; 0.0000208] | Pa×s | [366.00; 643.58] |
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 | -1.89453e+01 | |||
| Coefficient B | 5.25618e+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. | 366.00 | |||
| Temperature range, max. | 643.58 | |||
| η | 0.0102123 | Pa×s | 366.00 | Calculated Property |
| η | 0.0033449 | Pa×s | 396.84 | Calculated Property |
| η | 0.0012870 | Pa×s | 427.69 | Calculated Property |
| η | 0.0005630 | Pa×s | 458.53 | Calculated Property |
| η | 0.0002734 | Pa×s | 489.37 | Calculated Property |
| η | 0.0001446 | Pa×s | 520.21 | Calculated Property |
| η | 0.0000822 | Pa×s | 551.06 | Calculated Property |
| η | 0.0000496 | Pa×s | 581.90 | Calculated Property |
| η | 0.0000314 | Pa×s | 612.74 | Calculated Property |
| η | 0.0000208 | Pa×s | 643.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [508.19; 598.31] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.68254e+01 | |||
| Coefficient B | -1.02416e+04 | |||
| Coefficient C | -1.22262e+02 | |||
| Temperature range, min. | 508.19 | |||
| Temperature range, max. | 598.31 | |||
| Pvap | 1.33 | kPa | 508.19 | Calculated Property |
| Pvap | 2.61 | kPa | 518.20 | Calculated Property |
| Pvap | 4.94 | kPa | 528.22 | Calculated Property |
| Pvap | 9.06 | kPa | 538.23 | Calculated Property |
| Pvap | 16.17 | kPa | 548.24 | Calculated Property |
| Pvap | 28.08 | kPa | 558.26 | Calculated Property |
| Pvap | 47.59 | kPa | 568.27 | Calculated Property |
| Pvap | 78.79 | kPa | 578.28 | Calculated Property |
| Pvap | 127.66 | kPa | 588.30 | Calculated Property |
| Pvap | 202.68 | kPa | 598.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,16-Hexadecanediol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
- Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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