- InChI
- InChI=1S/C21H44O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h3-21H2,1-2H3
- InChI Key
- XIHDFPHFJXUOQA-UHFFFAOYSA-N
- Formula
- C21H44O
- SMILES
- CCCCCCCCCCCCCCCCCCOCCC
- Molecular Weight1
- 312.58
- 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 | 0.9513 | Relay (1.0) Calculated Property | |
| ΔfG° | 20.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -608.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.675 | Crippen Calculated Property | |
| McVol | 312.620 | ml/mol | McGowan Calculated Property |
| Pc | 946.16 | kPa | Joback Calculated Property |
| Inp | [2180.00; 2180.00] |
|
|
| Inp | 2180.00 | NIST | |
| Inp | 2180.00 | NIST | |
| Tboil | 592.17 | K | Relay (1.0) Calculated Property |
| Tc | 767.94 | K | Relay (1.0) Calculated Property |
| Tfus | 286.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.248 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.38; 1121.24] | 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 | 9.29900e+00 | |||
| Coefficient B | 1.93564e+00 | |||
| Coefficient C | -1.00760e-03 | |||
| Coefficient D | 1.83900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 466.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 576.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 675.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 764.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 844.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 914.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 977.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1032.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1080.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1121.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021329; 0.0001129] | Pa×s | [348.66; 606.60] |
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 | -1.30621e+01 | |||
| Coefficient B | 2.40989e+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. | 348.66 | |||
| Temperature range, max. | 606.60 | |||
| η | 0.0021329 | Pa×s | 348.66 | Calculated Property |
| η | 0.0012617 | Pa×s | 377.32 | Calculated Property |
| η | 0.0008038 | Pa×s | 405.98 | Calculated Property |
| η | 0.0005434 | Pa×s | 434.64 | Calculated Property |
| η | 0.0003856 | Pa×s | 463.30 | Calculated Property |
| η | 0.0002848 | Pa×s | 491.96 | Calculated Property |
| η | 0.0002175 | Pa×s | 520.62 | Calculated Property |
| η | 0.0001708 | Pa×s | 549.28 | Calculated Property |
| η | 0.0001374 | Pa×s | 577.94 | Calculated Property |
| η | 0.0001129 | Pa×s | 606.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecyl propyl ether.
Sources
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