- InChI
- InChI=1S/C34H70O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35-33-34(2)3/h34H,4-33H2,1-3H3
- InChI Key
- TUPBYXJOEZVCLM-UHFFFAOYSA-N
- Formula
- C34H70O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OCC(C)C - Molecular Weight1
- 494.93
- 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 | 1.3876 | Relay (1.0) Calculated Property | |
| ΔfG° | 127.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -880.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 163.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.602 | Crippen Calculated Property | |
| McVol | 495.790 | ml/mol | McGowan Calculated Property |
| Pc | 495.81 | kPa | Joback Calculated Property |
| Inp | [3419.00; 3419.00] |
|
|
| Inp | 3419.00 | NIST | |
| Inp | 3419.00 | NIST | |
| Tboil | 675.48 | K | Relay (1.0) Calculated Property |
| Tc | 851.98 | K | Relay (1.0) Calculated Property |
| Tfus | 309.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.948 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.84; 1792.46] | 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 | -4.20000e+00 | |||
| Coefficient B | 3.17656e+00 | |||
| Coefficient C | -1.71800e-03 | |||
| Coefficient D | 3.38100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 741.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 919.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1079.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1222.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1350.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1463.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1563.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1650.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1726.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1792.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004635; 0.0000141] | Pa×s | [480.17; 884.28] |
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 | -1.53236e+01 | |||
| Coefficient B | 3.67179e+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. | 480.17 | |||
| Temperature range, max. | 884.28 | |||
| η | 0.0004635 | Pa×s | 480.17 | Calculated Property |
| η | 0.0002410 | Pa×s | 525.07 | Calculated Property |
| η | 0.0001389 | Pa×s | 569.97 | Calculated Property |
| η | 0.0000868 | Pa×s | 614.87 | Calculated Property |
| η | 0.0000578 | Pa×s | 659.78 | Calculated Property |
| η | 0.0000405 | Pa×s | 704.68 | Calculated Property |
| η | 0.0000297 | Pa×s | 749.58 | Calculated Property |
| η | 0.0000225 | Pa×s | 794.48 | Calculated Property |
| η | 0.0000176 | Pa×s | 839.38 | Calculated Property |
| η | 0.0000141 | Pa×s | 884.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl triacontyl ether.
Sources
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