- InChI
- InChI=1S/C35H72/c1-10-30(4)18-12-20-32(6)22-14-24-34(8)26-16-28-35(9)27-15-25-33(7)23-13-21-31(5)19-11-17-29(2)3/h29-35H,10-28H2,1-9H3
- InChI Key
- RBRPLJVTWBTAFB-UHFFFAOYSA-N
- Formula
- C35H72
- SMILES
-
CCC(C)CCCC(C)CCCC(C)CCCC(C)CCC
C(C)CCCC(C)CCCC(C)C - Molecular Weight1
- 492.95
- 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 | 1.1078 | Relay (1.0) Calculated Property | |
| ΔfG° | 226.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -922.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.891 | Crippen Calculated Property | |
| McVol | 504.010 | ml/mol | McGowan Calculated Property |
| Pc | 489.03 | kPa | Joback Calculated Property |
| Inp | [3039.00; 3040.00] |
|
|
| Inp | 3040.00 | NIST | |
| Inp | 3039.00 | NIST | |
| Inp | 3040.00 | NIST | |
| Inp | 3039.00 | NIST | |
| Tboil | 682.11 | K | Relay (1.0) Calculated Property |
| Tc | 846.48 | K | Relay (1.0) Calculated Property |
| Tfus | 222.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.900 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.76; 1828.78] | 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 | -4.07010e+01 | |||
| Coefficient B | 3.37028e+00 | |||
| Coefficient C | -1.90260e-03 | |||
| Coefficient D | 4.01800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 745.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 931.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1097.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1245.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1377.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1493.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1595.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1684.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1761.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1828.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032241; 0.0000102] | Pa×s | [379.21; 869.60] |
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 | -1.59446e+01 | |||
| Coefficient B | 3.87078e+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. | 379.21 | |||
| Temperature range, max. | 869.60 | |||
| η | 0.0032241 | Pa×s | 379.21 | Calculated Property |
| η | 0.0008943 | Pa×s | 433.70 | Calculated Property |
| η | 0.0003303 | Pa×s | 488.19 | Calculated Property |
| η | 0.0001490 | Pa×s | 542.67 | Calculated Property |
| η | 0.0000777 | Pa×s | 597.16 | Calculated Property |
| η | 0.0000452 | Pa×s | 651.65 | Calculated Property |
| η | 0.0000286 | Pa×s | 706.14 | Calculated Property |
| η | 0.0000193 | Pa×s | 760.62 | Calculated Property |
| η | 0.0000137 | Pa×s | 815.11 | Calculated Property |
| η | 0.0000102 | Pa×s | 869.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Octacosane, 2,6,10,14,18,22,26-heptamethyl.
Sources
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