- InChI
- InChI=1S/C35H72O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-36-34-32-6-4-2/h3-35H2,1-2H3
- InChI Key
- JOJLNMKWLXUOAL-UHFFFAOYSA-N
- Formula
- C35H72O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OCCCCC - Molecular Weight1
- 508.95
- 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 | 1.4478 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -895.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 87.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 173.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.136 | Crippen Calculated Property | |
| McVol | 509.880 | ml/mol | McGowan Calculated Property |
| Pc | 473.62 | kPa | Joback Calculated Property |
| Inp | [3765.00; 3765.00] |
|
|
| Inp | 3765.00 | NIST | |
| Inp | 3765.00 | NIST | |
| Tboil | 677.67 | K | Relay (1.0) Calculated Property |
| Tc | 856.48 | K | Relay (1.0) Calculated Property |
| Tfus | 314.56 | K | Relay (1.0) Calculated Property |
| Vc | 2.019 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [763.37; 1843.51] | 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 | -3.42700e+00 | |||
| Coefficient B | 3.26564e+00 | |||
| Coefficient C | -1.76920e-03 | |||
| Coefficient D | 3.50500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 763.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 945.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1110.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1257.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1388.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1505.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1607.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1697.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1775.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1843.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003357; 0.0000125] | Pa×s | [506.44; 915.41] |
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 | -1.53606e+01 | |||
| Coefficient B | 3.72813e+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. | 506.44 | |||
| Temperature range, max. | 915.41 | |||
| η | 0.0003357 | Pa×s | 506.44 | Calculated Property |
| η | 0.0001831 | Pa×s | 551.88 | Calculated Property |
| η | 0.0001095 | Pa×s | 597.32 | Calculated Property |
| η | 0.0000705 | Pa×s | 642.76 | Calculated Property |
| η | 0.0000480 | Pa×s | 688.20 | Calculated Property |
| η | 0.0000343 | Pa×s | 733.64 | Calculated Property |
| η | 0.0000255 | Pa×s | 779.09 | Calculated Property |
| η | 0.0000196 | Pa×s | 824.53 | Calculated Property |
| η | 0.0000155 | Pa×s | 869.97 | Calculated Property |
| η | 0.0000125 | Pa×s | 915.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentyl triacontyl ether.
Sources
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