- InChI
- InChI=1S/C30H62/c1-4-7-10-13-15-17-19-22-25-28-30(27-24-21-12-9-6-3)29-26-23-20-18-16-14-11-8-5-2/h30H,4-29H2,1-3H3
- InChI Key
- CWEMFZROPOWTNA-UHFFFAOYSA-N
- Formula
- C30H62
- SMILES
-
CCCCCCCCCCCC(CCCCCCC)CCCCCCCCC
CC - Molecular Weight1
- 422.81
- 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 | 1.1534 | Relay (1.0) Calculated Property | |
| ΔfG° | 199.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.805 | Crippen Calculated Property | |
| McVol | 433.560 | ml/mol | McGowan Calculated Property |
| Pc | 597.80 | kPa | Joback Calculated Property |
| Inp | 2839.00 | NIST | |
| Tboil | 642.21 | K | Relay (1.0) Calculated Property |
| Tc | 812.30 | K | Relay (1.0) Calculated Property |
| Tfus | 279.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.689 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.58; 1567.60] | 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 | -2.60640e+01 | |||
| Coefficient B | 2.85976e+00 | |||
| Coefficient C | -1.61140e-03 | |||
| Coefficient D | 3.45300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 641.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 799.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 940.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1066.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1179.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1278.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1365.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1442.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1509.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1567.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013422; 0.0000394] | Pa×s | [412.86; 763.19] |
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 | -1.42990e+01 | |||
| Coefficient B | 3.17306e+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. | 412.86 | |||
| Temperature range, max. | 763.19 | |||
| η | 0.0013422 | Pa×s | 412.86 | Calculated Property |
| η | 0.0006922 | Pa×s | 451.79 | Calculated Property |
| η | 0.0003965 | Pa×s | 490.71 | Calculated Property |
| η | 0.0002465 | Pa×s | 529.64 | Calculated Property |
| η | 0.0001636 | Pa×s | 568.56 | Calculated Property |
| η | 0.0001144 | Pa×s | 607.49 | Calculated Property |
| η | 0.0000835 | Pa×s | 646.41 | Calculated Property |
| η | 0.0000632 | Pa×s | 685.34 | Calculated Property |
| η | 0.0000493 | Pa×s | 724.27 | Calculated Property |
| η | 0.0000394 | Pa×s | 763.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 12-heptyltricosane.
Sources
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