- InChI
- InChI=1S/C31H62O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-4-2/h3-30H2,1-2H3
- InChI Key
- CAJVPFLLQRRZAV-UHFFFAOYSA-N
- Formula
- C31H62O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(
=O)OCC - Molecular Weight1
- 466.83
- 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 | 1.3477 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1007.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 153.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.102 | Crippen Calculated Property | |
| McVol | 455.090 | ml/mol | McGowan Calculated Property |
| Pc | 569.87 | kPa | Joback Calculated Property |
| Inp | [3280.94; 3280.94] |
|
|
| Inp | 3280.94 | NIST | |
| Inp | 3280.94 | NIST | |
| Tboil | 661.56 | K | Relay (1.0) Calculated Property |
| Tc | 848.99 | K | Relay (1.0) Calculated Property |
| Tfus | 331.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.797 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.45; 1626.76] | 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 | 1.18000e-01 | |||
| Coefficient B | 2.89404e+00 | |||
| Coefficient C | -1.56800e-03 | |||
| Coefficient D | 3.00600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 679.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 841.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 986.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1116.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1231.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1333.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1423.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1501.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1568.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1626.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005448; 0.0000215] | Pa×s | [481.46; 844.44] |
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 | -1.50320e+01 | |||
| Coefficient B | 3.61912e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 481.46 | |||
| Temperature range, max. | 844.44 | |||
| η | 0.0005448 | Pa×s | 481.46 | Calculated Property |
| η | 0.0003047 | Pa×s | 521.79 | Calculated Property |
| η | 0.0001853 | Pa×s | 562.12 | Calculated Property |
| η | 0.0001204 | Pa×s | 602.45 | Calculated Property |
| η | 0.0000826 | Pa×s | 642.79 | Calculated Property |
| η | 0.0000592 | Pa×s | 683.12 | Calculated Property |
| η | 0.0000441 | Pa×s | 723.45 | Calculated Property |
| η | 0.0000338 | Pa×s | 763.78 | Calculated Property |
| η | 0.0000267 | Pa×s | 804.11 | Calculated Property |
| η | 0.0000215 | Pa×s | 844.44 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl nonacosanoate.
Sources
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