- InChI
- InChI=1S/C30H62/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(4)26-22-27-30(5)25-21-24-28(3)7-2/h28-30H,6-27H2,1-5H3
- InChI Key
- QVGGKRPICGQKFP-UHFFFAOYSA-N
- Formula
- C30H62
- SMILES
-
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCC
C(C)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 | 1.0868 | Relay (1.0) Calculated Property | |
| ΔfG° | 194.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.517 | Crippen Calculated Property | |
| McVol | 433.560 | ml/mol | McGowan Calculated Property |
| Pc | 602.50 | kPa | Joback Calculated Property |
| Inp | [2838.00; 2838.00] |
|
|
| Inp | 2838.00 | NIST | |
| Inp | 2838.00 | NIST | |
| Inp | 2838.00 | NIST | |
| Tboil | 643.57 | K | Relay (1.0) Calculated Property |
| Tc | 817.30 | K | Relay (1.0) Calculated Property |
| Tfus | 262.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.679 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.95; 1568.67] | 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 | -2.94280e+01 | |||
| Coefficient B | 2.87160e+00 | |||
| Coefficient C | -1.61780e-03 | |||
| Coefficient D | 3.44300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 640.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 799.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 941.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1067.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1180.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1279.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1367.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1443.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1510.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1568.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022843; 0.0000337] | Pa×s | [382.86; 760.78] |
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 | -1.45670e+01 | |||
| Coefficient B | 3.24870e+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. | 382.86 | |||
| Temperature range, max. | 760.78 | |||
| η | 0.0022843 | Pa×s | 382.86 | Calculated Property |
| η | 0.0009875 | Pa×s | 424.85 | Calculated Property |
| η | 0.0004964 | Pa×s | 466.84 | Calculated Property |
| η | 0.0002795 | Pa×s | 508.83 | Calculated Property |
| η | 0.0001718 | Pa×s | 550.83 | Calculated Property |
| η | 0.0001131 | Pa×s | 592.82 | Calculated Property |
| η | 0.0000787 | Pa×s | 634.81 | Calculated Property |
| η | 0.0000573 | Pa×s | 676.80 | Calculated Property |
| η | 0.0000433 | Pa×s | 718.79 | Calculated Property |
| η | 0.0000337 | Pa×s | 760.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,7,11-Trimethylheptacosane.
Sources
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