- InChI
- InChI=1S/C16H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h16-17H,3-15H2,1-2H3
- InChI Key
- ACDUHTSVVVHMGU-UHFFFAOYSA-N
- Formula
- C16H34O
- SMILES
- CCCCCCCCCCCCCC(O)CC
- Molecular Weight1
- 242.44
- CAS
- 593-03-3
- Other Names
-
- hexadecan-3-ol
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -55.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen Calculated Property | |
| logPoct/wat | 5.458 | Crippen Calculated Property | |
| McVol | 242.170 | ml/mol | McGowan Calculated Property |
| Pc | 1419.71 | kPa | Joback Calculated Property |
| Tboil | 657.22 | K | Joback Calculated Property |
| Tc | 818.60 | K | Joback Calculated Property |
| Tfus | 315.90 | K | Joback Calculated Property |
| Vc | 0.945 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.99; 785.60] | J/mol×K | [657.22; 818.60] | 
|
| Cp,gas | 692.99 | J/mol×K | 657.22 | Joback Calculated Property |
| Cp,gas | 710.14 | J/mol×K | 684.12 | Joback Calculated Property |
| Cp,gas | 726.57 | J/mol×K | 711.01 | Joback Calculated Property |
| Cp,gas | 742.31 | J/mol×K | 737.91 | Joback Calculated Property |
| Cp,gas | 757.38 | J/mol×K | 764.81 | Joback Calculated Property |
| Cp,gas | 771.81 | J/mol×K | 791.70 | Joback Calculated Property |
| Cp,gas | 785.60 | J/mol×K | 818.60 | Joback Calculated Property |
| η | [0.0000384; 0.0136883] | Pa×s | [315.90; 657.22] |
|
| η | 0.0136883 | Pa×s | 315.90 | Joback Calculated Property |
| η | 0.0024349 | Pa×s | 372.79 | Joback Calculated Property |
| η | 0.0006842 | Pa×s | 429.67 | Joback Calculated Property |
| η | 0.0002587 | Pa×s | 486.56 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 543.45 | Joback Calculated Property |
| η | 0.0000643 | Pa×s | 600.33 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 657.22 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [441.82; 624.39] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47395e+01 | |||
| Coefficient B | -4.95152e+03 | |||
| Coefficient C | -9.92000e+01 | |||
| Temperature range, min. | 441.82 | |||
| Temperature range, max. | 624.39 | |||
| Pvap | 1.33 | kPa | 441.82 | Calculated Property |
| Pvap | 2.99 | kPa | 462.11 | Calculated Property |
| Pvap | 6.16 | kPa | 482.39 | Calculated Property |
| Pvap | 11.79 | kPa | 502.68 | Calculated Property |
| Pvap | 21.22 | kPa | 522.96 | Calculated Property |
| Pvap | 36.19 | kPa | 543.25 | Calculated Property |
| Pvap | 58.90 | kPa | 563.53 | Calculated Property |
| Pvap | 92.04 | kPa | 583.82 | Calculated Property |
| Pvap | 138.75 | kPa | 604.10 | Calculated Property |
| Pvap | 202.65 | kPa | 624.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexadecanol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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