- InChI
- InChI=1S/C33H68O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-34-32-4-2/h3-33H2,1-2H3
- InChI Key
- ZUCRQPDEGXGNGF-UHFFFAOYSA-N
- Formula
- C33H68O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OCCC - Molecular Weight1
- 480.89
- 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 | 1.3726 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 82.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 165.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.356 | Crippen Calculated Property | |
| McVol | 481.700 | ml/mol | McGowan Calculated Property |
| Pc | 515.83 | kPa | Joback Calculated Property |
| Inp | [3374.00; 3374.00] |
|
|
| Inp | 3374.00 | NIST | |
| Inp | 3374.00 | NIST | |
| Tboil | 666.95 | K | Relay (1.0) Calculated Property |
| Tc | 842.62 | K | Relay (1.0) Calculated Property |
| Tfus | 315.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.910 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.94; 1740.33] | 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 | -1.60900e+00 | |||
| Coefficient B | 3.07564e+00 | |||
| Coefficient C | -1.66040e-03 | |||
| Coefficient D | 3.26700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 720.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 893.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1048.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1187.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1311.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1420.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1517.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1602.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1676.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1740.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004509; 0.0000184] | Pa×s | [483.90; 860.54] |
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 | -1.50193e+01 | |||
| Coefficient B | 3.53981e+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. | 483.90 | |||
| Temperature range, max. | 860.54 | |||
| η | 0.0004509 | Pa×s | 483.90 | Calculated Property |
| η | 0.0002519 | Pa×s | 525.75 | Calculated Property |
| η | 0.0001533 | Pa×s | 567.60 | Calculated Property |
| η | 0.0000999 | Pa×s | 609.45 | Calculated Property |
| η | 0.0000688 | Pa×s | 651.29 | Calculated Property |
| η | 0.0000496 | Pa×s | 693.14 | Calculated Property |
| η | 0.0000371 | Pa×s | 734.99 | Calculated Property |
| η | 0.0000286 | Pa×s | 776.84 | Calculated Property |
| η | 0.0000226 | Pa×s | 818.69 | Calculated Property |
| η | 0.0000184 | Pa×s | 860.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Propyl triacontyl ether.
Sources
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