- InChI
- InChI=1S/C42H86/c1-33(29-39(5,6)7)21-25-37(26-22-34(2)30-40(8,9)10)19-17-18-20-38(27-23-35(3)31-41(11,12)13)28-24-36(4)32-42(14,15)16/h33-38H,17-32H2,1-16H3
- InChI Key
- ODRMXCPHVVYLHY-UHFFFAOYSA-N
- Formula
- C42H86
- SMILES
-
CC(CCC(CCCCC(CCC(C)CC(C)(C)C)C
CC(C)CC(C)(C)C)CCC(C)CC(C)(C)C )CC(C)(C)C - Molecular Weight1
- 591.13
- CAS
- 55470-97-8
- Other Names
-
- 2,2,4,15,17,17-Hexamethyl-7,12-di(3',5',5'-trimethylhexyl)octadecane
- 2,2,4,15,17,17-Hexamethyl-7,12-bis(3,5,5-trimethylhexyl)octadecane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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 | 1.1512 | Relay (1.0) Calculated Property | |
| ΔfG° | 299.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1054.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.26 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 15.189 | Crippen Calculated Property | |
| McVol | 602.640 | ml/mol | McGowan Calculated Property |
| Pc | 380.58 | kPa | Joback Calculated Property |
| Tboil | 722.42 | K | Relay (1.0) Calculated Property |
| Tc | 888.83 | K | Relay (1.0) Calculated Property |
| Tfus | 312.20 | K | Relay (1.0) Calculated Property |
| Vc | 2.283 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 118.30 | kJ/mol | 543.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [888.73; 2195.25] | 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 | -1.43274e+02 | |||
| Coefficient B | 4.53272e+00 | |||
| Coefficient C | -2.96740e-03 | |||
| Coefficient D | 7.73200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 888.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1123.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1329.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1510.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1668.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1805.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1923.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 2026.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2116.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2195.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003857; 0.0000010] | Pa×s | [482.78; 1017.56] |
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 | -1.91579e+01 | |||
| Coefficient B | 5.45424e+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. | 482.78 | |||
| Temperature range, max. | 1017.56 | |||
| η | 0.0003857 | Pa×s | 482.78 | Calculated Property |
| η | 0.0001118 | Pa×s | 542.20 | Calculated Property |
| η | 0.0000414 | Pa×s | 601.62 | Calculated Property |
| η | 0.0000183 | Pa×s | 661.04 | Calculated Property |
| η | 0.0000093 | Pa×s | 720.46 | Calculated Property |
| η | 0.0000052 | Pa×s | 779.88 | Calculated Property |
| η | 0.0000032 | Pa×s | 839.30 | Calculated Property |
| η | 0.0000021 | Pa×s | 898.72 | Calculated Property |
| η | 0.0000014 | Pa×s | 958.14 | Calculated Property |
| η | 0.0000010 | Pa×s | 1017.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecane, 2,2,4,15,17,17-hexamethyl-7,12-bis(3,5,5-trimethylhexyl)-.
Sources
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