- InChI
- InChI=1S/C31H64O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-2/h3-31H2,1-2H3
- InChI Key
- BIPHKSARUJLPOQ-UHFFFAOYSA-N
- Formula
- C31H64O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OC - Molecular Weight1
- 452.85
- 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 | 1.2906 | Relay (1.0) Calculated Property | |
| ΔfG° | 105.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 161.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.575 | Crippen Calculated Property | |
| McVol | 453.520 | ml/mol | McGowan Calculated Property |
| Pc | 563.94 | kPa | Joback Calculated Property |
| Inp | [3233.00; 3233.00] |
|
|
| Inp | 3233.00 | NIST | |
| Inp | 3233.00 | NIST | |
| Tboil | 654.59 | K | Relay (1.0) Calculated Property |
| Tc | 830.15 | K | Relay (1.0) Calculated Property |
| Tfus | 330.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.803 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.51; 1637.15] | 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 | 2.09000e-01 | |||
| Coefficient B | 2.88564e+00 | |||
| Coefficient C | -1.55160e-03 | |||
| Coefficient D | 3.02900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 678.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 840.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 986.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1116.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1233.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1336.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1427.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1507.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1576.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1637.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006009; 0.0000263] | Pa×s | [461.36; 810.25] |
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 | -1.46814e+01 | |||
| Coefficient B | 3.35149e+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. | 461.36 | |||
| Temperature range, max. | 810.25 | |||
| η | 0.0006009 | Pa×s | 461.36 | Calculated Property |
| η | 0.0003422 | Pa×s | 500.13 | Calculated Property |
| η | 0.0002113 | Pa×s | 538.89 | Calculated Property |
| η | 0.0001392 | Pa×s | 577.66 | Calculated Property |
| η | 0.0000966 | Pa×s | 616.42 | Calculated Property |
| η | 0.0000701 | Pa×s | 655.19 | Calculated Property |
| η | 0.0000526 | Pa×s | 693.96 | Calculated Property |
| η | 0.0000408 | Pa×s | 732.72 | Calculated Property |
| η | 0.0000324 | Pa×s | 771.49 | Calculated Property |
| η | 0.0000263 | Pa×s | 810.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl triacontyl ether.
Sources
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