- InChI
- InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h18-20H,2-17H2,1H3
- InChI Key
- XWAMHGPDZOVVND-UHFFFAOYSA-N
- Formula
- C18H38O2
- SMILES
- CCCCCCCCCCCCCCCCC(O)CO
- Molecular Weight1
- 286.50
- CAS
- 20294-76-2
- Other Names
-
- 1,2-Dihydroxyoctadecane
- octadecane-1,2-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).
- 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 | 1.1581 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.211 | Crippen Calculated Property | |
| McVol | 276.220 | ml/mol | McGowan Calculated Property |
| Pc | 1318.48 | kPa | Joback Calculated Property |
| Tboil | 627.14 | K | Relay (1.0) Calculated Property |
| Tc | 810.87 | K | Relay (1.0) Calculated Property |
| Tfus | 353.65 ± 2.00 | K | NIST |
| Vc | 1.073 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.02; 985.85] | 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 | -4.57400e+00 | |||
| Coefficient B | 1.78772e+00 | |||
| Coefficient C | -1.01940e-03 | |||
| Coefficient D | 2.22100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 412.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 510.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 598.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 676.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 745.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 807.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 861.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 908.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 949.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 985.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0208135; 0.0000120] | Pa×s | [353.65; 681.62] |
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 | -1.93743e+01 | |||
| Coefficient B | 5.48232e+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. | 353.65 | |||
| Temperature range, max. | 681.62 | |||
| η | 0.0208135 | Pa×s | 353.65 | Calculated Property |
| η | 0.0048912 | Pa×s | 390.09 | Calculated Property |
| η | 0.0014721 | Pa×s | 426.53 | Calculated Property |
| η | 0.0005353 | Pa×s | 462.97 | Calculated Property |
| η | 0.0002256 | Pa×s | 499.42 | Calculated Property |
| η | 0.0001069 | Pa×s | 535.86 | Calculated Property |
| η | 0.0000557 | Pa×s | 572.30 | Calculated Property |
| η | 0.0000314 | Pa×s | 608.74 | Calculated Property |
| η | 0.0000189 | Pa×s | 645.18 | Calculated Property |
| η | 0.0000120 | Pa×s | 681.62 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [519.12; 612.11] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.65476e+01 | |||
| Coefficient B | -1.03217e+04 | |||
| Coefficient C | -1.26062e+02 | |||
| Temperature range, min. | 519.12 | |||
| Temperature range, max. | 612.11 | |||
| Pvap | 1.33 | kPa | 519.12 | Calculated Property |
| Pvap | 2.61 | kPa | 529.45 | Calculated Property |
| Pvap | 4.95 | kPa | 539.78 | Calculated Property |
| Pvap | 9.09 | kPa | 550.12 | Calculated Property |
| Pvap | 16.22 | kPa | 560.45 | Calculated Property |
| Pvap | 28.17 | kPa | 570.78 | Calculated Property |
| Pvap | 47.71 | kPa | 581.11 | Calculated Property |
| Pvap | 78.94 | kPa | 591.45 | Calculated Property |
| Pvap | 127.79 | kPa | 601.78 | Calculated Property |
| Pvap | 202.68 | kPa | 612.11 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Octadecanediol.
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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