- InChI
- InChI=1S/C30H62O/c1-5-6-7-8-9-10-11-13-16-19-22-25-29(2)26-23-20-17-14-12-15-18-21-24-27-30(3)28-31-4/h29-30H,5-28H2,1-4H3
- InChI Key
- VRRUMZGRQUTELI-UHFFFAOYSA-N
- Formula
- C30H62O
- SMILES
-
CCCCCCCCCCCCCC(C)CCCCCCCCCCCC(
C)COC - 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 | 1.1710 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.897 | Crippen Calculated Property | |
| McVol | 439.430 | ml/mol | McGowan Calculated Property |
| Pc | 595.17 | kPa | Joback Calculated Property |
| Inp | 3005.00 | NIST | |
| Tboil | 650.95 | K | Relay (1.0) Calculated Property |
| Tc | 829.19 | K | Relay (1.0) Calculated Property |
| Tfus | 287.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.690 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.67; 1586.63] | 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 | -2.24600e+00 | |||
| Coefficient B | 2.80248e+00 | |||
| Coefficient C | -1.50360e-03 | |||
| Coefficient D | 2.90000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 656.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 813.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 955.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1082.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1195.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1295.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1384.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1461.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1528.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1586.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010616; 0.0000268] | Pa×s | [420.09; 783.46] |
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 | -1.47819e+01 | |||
| Coefficient B | 3.33297e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 420.09 | |||
| Temperature range, max. | 783.46 | |||
| η | 0.0010616 | Pa×s | 420.09 | Calculated Property |
| η | 0.0005295 | Pa×s | 460.46 | Calculated Property |
| η | 0.0002954 | Pa×s | 500.84 | Calculated Property |
| η | 0.0001798 | Pa×s | 541.21 | Calculated Property |
| η | 0.0001173 | Pa×s | 581.59 | Calculated Property |
| η | 0.0000808 | Pa×s | 621.96 | Calculated Property |
| η | 0.0000583 | Pa×s | 662.34 | Calculated Property |
| η | 0.0000437 | Pa×s | 702.71 | Calculated Property |
| η | 0.0000337 | Pa×s | 743.09 | Calculated Property |
| η | 0.0000268 | Pa×s | 783.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methoxy-2,14-dimethylheptacosane.
Sources
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