- InChI
- InChI=1S/C16H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16-18H,2-15H2,1H3
- InChI Key
- BTOOAFQCTJZDRC-UHFFFAOYSA-N
- Formula
- C16H34O2
- SMILES
- CCCCCCCCCCCCCCC(O)CO
- Molecular Weight1
- 258.44
- CAS
- 6920-24-7
- Other Names
-
- 1,2-Hexadecanediol
- 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).
- 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.
- 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 | 1.0871 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.431 | Crippen Calculated Property | |
| McVol | 248.040 | ml/mol | McGowan Calculated Property |
| Pc | 1523.50 | kPa | Joback Calculated Property |
| Inp | 2031.00 | NIST | |
| Tboil | 614.07 | K | Relay (1.0) Calculated Property |
| Tc | 795.41 | K | Relay (1.0) Calculated Property |
| Tfus | 348.65 ± 0.50 | K | NIST |
| Vc | 0.960 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.64; 850.49] | J/mol×K | [749.40; 919.21] | 
|
| Cp,gas | 766.64 | J/mol×K | 749.40 | Joback Calculated Property |
| Cp,gas | 782.32 | J/mol×K | 777.70 | Joback Calculated Property |
| Cp,gas | 797.28 | J/mol×K | 806.00 | Joback Calculated Property |
| Cp,gas | 811.55 | J/mol×K | 834.30 | Joback Calculated Property |
| Cp,gas | 825.16 | J/mol×K | 862.60 | Joback Calculated Property |
| Cp,gas | 838.13 | J/mol×K | 890.90 | Joback Calculated Property |
| Cp,gas | 850.49 | J/mol×K | 919.21 | Joback Calculated Property |
| η | [0.0000061; 0.0065622] | Pa×s | [376.72; 749.40] |
|
| η | 0.0065622 | Pa×s | 376.72 | Joback Calculated Property |
| η | 0.0008978 | Pa×s | 438.83 | Joback Calculated Property |
| η | 0.0002012 | Pa×s | 500.95 | Joback Calculated Property |
| η | 0.0000627 | Pa×s | 563.06 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 625.17 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 687.29 | Joback Calculated Property |
| η | 0.0000061 | Pa×s | 749.40 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [496.72; 601.16] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.35157e+01 | |||
| Coefficient B | -8.79049e+03 | |||
| Coefficient C | -1.18278e+02 | |||
| Temperature range, min. | 496.72 | |||
| Temperature range, max. | 601.16 | |||
| Pvap | 1.33 | kPa | 496.72 | Calculated Property |
| Pvap | 2.66 | kPa | 508.32 | Calculated Property |
| Pvap | 5.10 | kPa | 519.93 | Calculated Property |
| Pvap | 9.43 | kPa | 531.53 | Calculated Property |
| Pvap | 16.87 | kPa | 543.14 | Calculated Property |
| Pvap | 29.24 | kPa | 554.74 | Calculated Property |
| Pvap | 49.26 | kPa | 566.35 | Calculated Property |
| Pvap | 80.83 | kPa | 577.95 | Calculated Property |
| Pvap | 129.44 | kPa | 589.56 | Calculated Property |
| Pvap | 202.64 | kPa | 601.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane-1,2-diol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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