- InChI
- InChI=1S/C36H74O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38-36-35-37-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
- InChI Key
- RSHNRWZRUITEEY-UHFFFAOYSA-N
- Formula
- C36H74O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOCCOCCCCCCCC
CCCCCCCC - Molecular Weight1
- 538.97
- 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).
- 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 | 1.5167 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1027.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 91.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 177.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.762 | Crippen Calculated Property | |
| McVol | 529.840 | ml/mol | McGowan Calculated Property |
| Pc | 451.16 | kPa | Joback Calculated Property |
| Inp | [412.60; 412.60] |
|
|
| Inp | 412.60 | NIST | |
| Inp | 412.60 | NIST | |
| Tboil | 697.80 | K | Relay (1.0) Calculated Property |
| Tc | 871.48 | K | Relay (1.0) Calculated Property |
| Tfus | 311.73 | K | Relay (1.0) Calculated Property |
| Vc | 2.091 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.99; 1913.60] | 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 | 2.11640e+01 | |||
| Coefficient B | 3.29744e+00 | |||
| Coefficient C | -1.71260e-03 | |||
| Coefficient D | 3.07600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 799.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 987.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1155.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1307.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1443.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1563.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1670.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1763.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1844.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1913.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001872; 0.0000072] | Pa×s | [539.94; 974.10] |
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 | -1.58883e+01 | |||
| Coefficient B | 3.94438e+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. | 539.94 | |||
| Temperature range, max. | 974.10 | |||
| η | 0.0001872 | Pa×s | 539.94 | Calculated Property |
| η | 0.0001029 | Pa×s | 588.18 | Calculated Property |
| η | 0.0000619 | Pa×s | 636.42 | Calculated Property |
| η | 0.0000400 | Pa×s | 684.66 | Calculated Property |
| η | 0.0000274 | Pa×s | 732.90 | Calculated Property |
| η | 0.0000196 | Pa×s | 781.14 | Calculated Property |
| η | 0.0000146 | Pa×s | 829.38 | Calculated Property |
| η | 0.0000113 | Pa×s | 877.62 | Calculated Property |
| η | 0.0000089 | Pa×s | 925.86 | Calculated Property |
| η | 0.0000072 | Pa×s | 974.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2-(Hexadecyloxy)ethoxyl)octadecane.
Sources
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