- InChI
- InChI=1S/C37H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2)38/h9-10,16-17,23-24,30-31H,3-8,11-15,18-22,25-29,32-36H2,1-2H3/b10-9+,17-16+,24-23+,31-30+
- InChI Key
- DPRXWDBEWOXTBA-UGGLBSCLSA-N
- Formula
- C37H66O
- SMILES
-
CCCCCCCC=CCCCCCC=CCCCCCC=CCCCC
CC=CCCCCCC(C)=O - Molecular Weight1
- 526.92
- Other Names
-
- Heptatriaconta-8E,15E,22E,29E-tetraen-2-one
- 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 | 1.2236 | Relay (1.0) Calculated Property | |
| ΔfG° | 452.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -769.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 93.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 172.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.963 | Crippen Calculated Property | |
| McVol | 516.560 | ml/mol | McGowan Calculated Property |
| Pc | 494.05 | kPa | Joback Calculated Property |
| Inp | [3866.00; 3866.00] |
|
|
| Inp | 3866.00 | NIST | |
| Inp | 3866.00 | NIST | |
| Tboil | 720.92 | K | Relay (1.0) Calculated Property |
| Tc | 906.89 | K | Relay (1.0) Calculated Property |
| Tfus | 306.84 | K | Relay (1.0) Calculated Property |
| Vc | 1.859 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.30; 1794.89] | 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 | -8.01140e+01 | |||
| Coefficient B | 3.57084e+00 | |||
| Coefficient C | -2.30550e-03 | |||
| Coefficient D | 6.09660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 735.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 921.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1086.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1231.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1358.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1469.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1567.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1652.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1727.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1794.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002082; 0.0000070] | Pa×s | [536.36; 995.74] |
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 | -1.58329e+01 | |||
| Coefficient B | 3.94551e+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. | 536.36 | |||
| Temperature range, max. | 995.74 | |||
| η | 0.0002082 | Pa×s | 536.36 | Calculated Property |
| η | 0.0001099 | Pa×s | 587.40 | Calculated Property |
| η | 0.0000642 | Pa×s | 638.44 | Calculated Property |
| η | 0.0000406 | Pa×s | 689.49 | Calculated Property |
| η | 0.0000274 | Pa×s | 740.53 | Calculated Property |
| η | 0.0000194 | Pa×s | 791.57 | Calculated Property |
| η | 0.0000144 | Pa×s | 842.61 | Calculated Property |
| η | 0.0000110 | Pa×s | 893.65 | Calculated Property |
| η | 0.0000087 | Pa×s | 944.70 | Calculated Property |
| η | 0.0000070 | Pa×s | 995.74 | Calculated Property |
Similar Compounds
Find more compounds similar to 8E,15E,22E,29E-heptatriaconta-tetraen-2-one.
Sources
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