- InChI
- InChI=1S/C35H72O/c1-5-34(2)31-29-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(3)33-36-4/h34-35H,5-33H2,1-4H3
- InChI Key
- LVJPYQDARQPSOO-UHFFFAOYSA-N
- Formula
- C35H72O
- SMILES
-
CCC(C)CCCCCCCCCCCCCCCCCCCCCCCC
CCCC(C)COC - 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).
- 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 | 1.3539 | Relay (1.0) Calculated Property | |
| ΔfG° | 133.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -914.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 168.70 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -11.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.848 | Crippen Calculated Property | |
| McVol | 509.880 | ml/mol | McGowan Calculated Property |
| Pc | 476.93 | kPa | Joback Calculated Property |
| Inp | [3548.00; 3548.00] |
|
|
| Inp | 3548.00 | NIST | |
| Inp | 3548.00 | NIST | |
| Tboil | 681.56 | K | Relay (1.0) Calculated Property |
| Tc | 859.37 | K | Relay (1.0) Calculated Property |
| Tfus | 305.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.967 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.74; 1844.59] | 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 | -6.79100e+00 | |||
| Coefficient B | 3.27748e+00 | |||
| Coefficient C | -1.77560e-03 | |||
| Coefficient D | 3.49500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 762.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 945.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1110.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1258.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1390.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1506.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1609.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1698.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1777.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1844.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004785; 0.0000107] | Pa×s | [476.44; 908.55] |
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 | -1.56286e+01 | |||
| Coefficient B | 3.80377e+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. | 476.44 | |||
| Temperature range, max. | 908.55 | |||
| η | 0.0004785 | Pa×s | 476.44 | Calculated Property |
| η | 0.0002304 | Pa×s | 524.45 | Calculated Property |
| η | 0.0001254 | Pa×s | 572.47 | Calculated Property |
| η | 0.0000750 | Pa×s | 620.48 | Calculated Property |
| η | 0.0000483 | Pa×s | 668.49 | Calculated Property |
| η | 0.0000330 | Pa×s | 716.50 | Calculated Property |
| η | 0.0000236 | Pa×s | 764.52 | Calculated Property |
| η | 0.0000176 | Pa×s | 812.53 | Calculated Property |
| η | 0.0000136 | Pa×s | 860.54 | Calculated Property |
| η | 0.0000107 | Pa×s | 908.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-2,30-dimethyldotriacontane.
Sources
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