- InChI
- InChI=1S/C32H65I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h2-32H2,1H3
- InChI Key
- JXFRLKULJKAXNM-UHFFFAOYSA-N
- Formula
- C32H65I
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCI - Molecular Weight1
- 576.76
- CAS
- 62154-83-0
- 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).
- 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 | 1.3202 | Relay (1.0) Calculated Property | |
| ΔfG° | 276.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 83.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 177.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.144 | Crippen Calculated Property | |
| McVol | 487.560 | ml/mol | McGowan Calculated Property |
| Pc | 537.83 | kPa | Joback Calculated Property |
| Tboil | 697.92 | K | Relay (1.0) Calculated Property |
| Tc | 883.54 | K | Relay (1.0) Calculated Property |
| Tfus | 334.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.911 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [701.40; 1679.41] | 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 | -1.45090e+01 | |||
| Coefficient B | 3.08282e+00 | |||
| Coefficient C | -1.79840e-03 | |||
| Coefficient D | 4.09500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 701.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 869.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1019.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1152.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1270.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1375.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1466.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1547.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1617.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1679.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004434; 0.0000195] | Pa×s | [508.46; 895.27] |
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 | -1.49565e+01 | |||
| Coefficient B | 3.67898e+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. | 508.46 | |||
| Temperature range, max. | 895.27 | |||
| η | 0.0004434 | Pa×s | 508.46 | Calculated Property |
| η | 0.0002523 | Pa×s | 551.44 | Calculated Property |
| η | 0.0001557 | Pa×s | 594.42 | Calculated Property |
| η | 0.0001026 | Pa×s | 637.40 | Calculated Property |
| η | 0.0000713 | Pa×s | 680.38 | Calculated Property |
| η | 0.0000517 | Pa×s | 723.35 | Calculated Property |
| η | 0.0000389 | Pa×s | 766.33 | Calculated Property |
| η | 0.0000301 | Pa×s | 809.31 | Calculated Property |
| η | 0.0000239 | Pa×s | 852.29 | Calculated Property |
| η | 0.0000195 | Pa×s | 895.27 | Calculated Property |
Similar Compounds
Find more compounds similar to dotriacontane, 1-iodo-.
Sources
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