- InChI
- InChI=1S/C30H61I/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/h2-30H2,1H3
- InChI Key
- WPPHWXZEMRXEHC-UHFFFAOYSA-N
- Formula
- C30H61I
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
I - Molecular Weight1
- 548.71
- CAS
- 62154-82-9
- 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 | 1.2500 | Relay (1.0) Calculated Property | |
| ΔfG° | 259.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -610.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 168.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.364 | Crippen Calculated Property | |
| McVol | 459.380 | ml/mol | McGowan Calculated Property |
| Pc | 589.12 | kPa | Joback Calculated Property |
| Tboil | 685.60 | K | Relay (1.0) Calculated Property |
| Tc | 872.43 | K | Relay (1.0) Calculated Property |
| Tfus | 331.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.802 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.97; 1576.23] | 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 | -1.26910e+01 | |||
| Coefficient B | 2.89282e+00 | |||
| Coefficient C | -1.68960e-03 | |||
| Coefficient D | 3.85700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 658.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 816.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 956.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1082.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1193.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1290.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1376.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1452.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1518.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1576.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005963; 0.0000279] | Pa×s | [485.92; 846.88] |
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 | -1.46084e+01 | |||
| Coefficient B | 3.49066e+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. | 485.92 | |||
| Temperature range, max. | 846.88 | |||
| η | 0.0005963 | Pa×s | 485.92 | Calculated Property |
| η | 0.0003448 | Pa×s | 526.03 | Calculated Property |
| η | 0.0002155 | Pa×s | 566.13 | Calculated Property |
| η | 0.0001433 | Pa×s | 606.24 | Calculated Property |
| η | 0.0001003 | Pa×s | 646.35 | Calculated Property |
| η | 0.0000731 | Pa×s | 686.45 | Calculated Property |
| η | 0.0000552 | Pa×s | 726.56 | Calculated Property |
| η | 0.0000430 | Pa×s | 766.66 | Calculated Property |
| η | 0.0000343 | Pa×s | 806.77 | Calculated Property |
| η | 0.0000279 | Pa×s | 846.88 | Calculated Property |
Similar Compounds
Find more compounds similar to triacontane, 1-iodo-.
Sources
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