- InChI
- InChI=1S/C29H60O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-29(2)3/h29H,4-28H2,1-3H3
- InChI Key
- RKYZQQAFOCRQQJ-UHFFFAOYSA-N
- Formula
- C29H60O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(C
)C - Molecular Weight1
- 424.80
- 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 | 1.1962 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -789.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.794 | Crippen Calculated Property | |
| McVol | 425.340 | ml/mol | McGowan Calculated Property |
| Pc | 621.58 | kPa | Joback Calculated Property |
| Inp | [2921.00; 2921.00] |
|
|
| Inp | 2921.00 | NIST | |
| Inp | 2921.00 | NIST | |
| Tboil | 637.56 | K | Relay (1.0) Calculated Property |
| Tc | 813.35 | K | Relay (1.0) Calculated Property |
| Tfus | 312.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.687 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.77; 1534.51] | 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 | 3.45000e-01 | |||
| Coefficient B | 2.70156e+00 | |||
| Coefficient C | -1.44600e-03 | |||
| Coefficient D | 2.78600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 635.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 787.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 924.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1046.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1155.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1252.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1338.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1413.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1478.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1534.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009793; 0.0000342] | Pa×s | [423.82; 762.53] |
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 | -1.44814e+01 | |||
| Coefficient B | 3.20099e+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. | 423.82 | |||
| Temperature range, max. | 762.53 | |||
| η | 0.0009793 | Pa×s | 423.82 | Calculated Property |
| η | 0.0005289 | Pa×s | 461.45 | Calculated Property |
| η | 0.0003135 | Pa×s | 499.09 | Calculated Property |
| η | 0.0001999 | Pa×s | 536.72 | Calculated Property |
| η | 0.0001353 | Pa×s | 574.36 | Calculated Property |
| η | 0.0000960 | Pa×s | 611.99 | Calculated Property |
| η | 0.0000709 | Pa×s | 649.63 | Calculated Property |
| η | 0.0000541 | Pa×s | 687.26 | Calculated Property |
| η | 0.0000425 | Pa×s | 724.90 | Calculated Property |
| η | 0.0000342 | Pa×s | 762.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl hexacosyl ether.
Sources
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