- InChI
- InChI=1S/C31H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15-16,18H,3-12,14,17,19-31H2,1-2H3/b15-13+,18-16+
- InChI Key
- IUADKQXYIUGUNB-LDLWNPHPSA-N
- Formula
- C31H60
- SMILES
-
CCCCCC/C=C/CCCCCCCCCCCCCC/C=C/
CCCCCCC - Molecular Weight1
- 432.82
- 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 | 1.1002 | Relay (1.0) Calculated Property | |
| ΔfG° | 370.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 154.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.891 | Crippen Calculated Property | |
| McVol | 439.050 | ml/mol | McGowan Calculated Property |
| Pc | 597.80 | kPa | Joback Calculated Property |
| Inp | [3052.00; 3052.00] |
|
|
| Inp | 3052.00 | NIST | |
| Inp | 3052.00 | NIST | |
| Tboil | 645.88 | K | Relay (1.0) Calculated Property |
| Tc | 830.95 | K | Relay (1.0) Calculated Property |
| Tfus | 296.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.686 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.10; 1557.49] | 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 | -5.36550e+01 | |||
| Coefficient B | 2.98884e+00 | |||
| Coefficient C | -1.83020e-03 | |||
| Coefficient D | 4.52500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 635.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 794.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 936.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1062.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1173.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1271.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1357.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1432.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1498.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1557.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008291; 0.0000278] | Pa×s | [428.97; 790.75] |
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 | -1.45127e+01 | |||
| Coefficient B | 3.18188e+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. | 428.97 | |||
| Temperature range, max. | 790.75 | |||
| η | 0.0008291 | Pa×s | 428.97 | Calculated Property |
| η | 0.0004391 | Pa×s | 469.17 | Calculated Property |
| η | 0.0002571 | Pa×s | 509.37 | Calculated Property |
| η | 0.0001628 | Pa×s | 549.56 | Calculated Property |
| η | 0.0001097 | Pa×s | 589.76 | Calculated Property |
| η | 0.0000778 | Pa×s | 629.96 | Calculated Property |
| η | 0.0000574 | Pa×s | 670.16 | Calculated Property |
| η | 0.0000439 | Pa×s | 710.36 | Calculated Property |
| η | 0.0000345 | Pa×s | 750.56 | Calculated Property |
| η | 0.0000278 | Pa×s | 790.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 7,23-Hentriacontadiene.
Sources
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