- InChI
- InChI=1S/C30H62O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-31-29-30(2)3/h30H,4-29H2,1-3H3
- InChI Key
- SRMLWYCPHSUWSY-UHFFFAOYSA-N
- Formula
- C30H62O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCOCC(
C)C - Molecular Weight1
- 438.82
- 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 | 1.2475 | Relay (1.0) Calculated Property | |
| ΔfG° | 94.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -798.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.041 | Crippen Calculated Property | |
| McVol | 439.430 | ml/mol | McGowan Calculated Property |
| Pc | 592.86 | kPa | Joback Calculated Property |
| Inp | [3027.00; 3027.00] |
|
|
| Inp | 3027.00 | NIST | |
| Inp | 3027.00 | NIST | |
| Tboil | 650.67 | K | Relay (1.0) Calculated Property |
| Tc | 829.09 | K | Relay (1.0) Calculated Property |
| Tfus | 301.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.730 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.98; 1586.10] | 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 | -5.64000e-01 | |||
| Coefficient B | 2.79656e+00 | |||
| Coefficient C | -1.50040e-03 | |||
| Coefficient D | 2.90500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 656.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 813.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 955.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1081.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1194.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1295.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1383.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1460.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1527.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1586.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008465; 0.0000289] | Pa×s | [435.09; 784.98] |
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 | -1.46479e+01 | |||
| Coefficient B | 3.29515e+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. | 435.09 | |||
| Temperature range, max. | 784.98 | |||
| η | 0.0008465 | Pa×s | 435.09 | Calculated Property |
| η | 0.0004548 | Pa×s | 473.97 | Calculated Property |
| η | 0.0002685 | Pa×s | 512.84 | Calculated Property |
| η | 0.0001707 | Pa×s | 551.72 | Calculated Property |
| η | 0.0001152 | Pa×s | 590.60 | Calculated Property |
| η | 0.0000816 | Pa×s | 629.47 | Calculated Property |
| η | 0.0000602 | Pa×s | 668.35 | Calculated Property |
| η | 0.0000459 | Pa×s | 707.23 | Calculated Property |
| η | 0.0000360 | Pa×s | 746.10 | Calculated Property |
| η | 0.0000289 | Pa×s | 784.98 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosyl isobutyl ether.
Sources
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