- InChI
- InChI=1S/C18H30/c1-14(2)7-6-8-15(3)10-12-18-13-16(4)9-11-17(18)5/h9,11,13-15H,6-8,10,12H2,1-5H3
- InChI Key
- GDGPOTBJJLOPRZ-UHFFFAOYSA-N
- Formula
- C18H30
- SMILES
- Cc1ccc(C)c(CCC(C)CCCC(C)C)c1
- Molecular Weight1
- 246.43
- CAS
- 19550-60-8
- Other Names
-
- 1,4-Dimethyl-2-(3,7-dimethyloctyl)benzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6325 | Relay (1.0) Calculated Property | |
| ΔfusH° | 28.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.698 | Crippen Calculated Property | |
| McVol | 240.720 | ml/mol | McGowan Calculated Property |
| Pc | 1446.83 | kPa | Joback Calculated Property |
| Tboil | 583.24 | K | Relay (1.0) Calculated Property |
| Tc | 766.49 | K | Relay (1.0) Calculated Property |
| Tfus | 253.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.896 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 |
|---|---|---|---|---|
| Cp,gas | [654.92; 760.78] | J/mol×K | [647.00; 840.66] | 
|
| Cp,gas | 654.92 | J/mol×K | 647.00 | Joback Calculated Property |
| Cp,gas | 675.03 | J/mol×K | 679.28 | Joback Calculated Property |
| Cp,gas | 694.11 | J/mol×K | 711.55 | Joback Calculated Property |
| Cp,gas | 712.19 | J/mol×K | 743.83 | Joback Calculated Property |
| Cp,gas | 729.30 | J/mol×K | 776.11 | Joback Calculated Property |
| Cp,gas | 745.49 | J/mol×K | 808.39 | Joback Calculated Property |
| Cp,gas | 760.78 | J/mol×K | 840.66 | Joback Calculated Property |
| η | [0.0001040; 0.0028079] | Pa×s | [314.08; 647.00] |
|
| η | 0.0028079 | Pa×s | 314.08 | Joback Calculated Property |
| η | 0.0010733 | Pa×s | 369.57 | Joback Calculated Property |
| η | 0.0005273 | Pa×s | 425.05 | Joback Calculated Property |
| η | 0.0003053 | Pa×s | 480.54 | Joback Calculated Property |
| η | 0.0001979 | Pa×s | 536.03 | Joback Calculated Property |
| η | 0.0001392 | Pa×s | 591.51 | Joback Calculated Property |
| η | 0.0001040 | Pa×s | 647.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 3,7-dimethyl-1-(2,5-xylyl)-.
Sources
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