- InChI
- InChI=1S/C28H58/c1-22(19-26(4,5)6)13-16-25(17-14-23(2)20-27(7,8)9)18-15-24(3)21-28(10,11)12/h22-25H,13-21H2,1-12H3
- InChI Key
- VJDJSJSGMRWTIK-UHFFFAOYSA-N
- Formula
- C28H58
- SMILES
-
CC(CCC(CCC(C)CC(C)(C)C)CCC(C)C
C(C)(C)C)CC(C)(C)C - Molecular Weight1
- 394.76
- CAS
- 3035-75-4
- Other Names
-
- 2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 183.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.48 | kJ/mol | Joback Calculated Property |
| log10WS | -9.85 | Crippen Calculated Property | |
| logPoct/wat | 10.160 | Crippen Calculated Property | |
| McVol | 405.380 | ml/mol | McGowan Calculated Property |
| Pc | 686.37 | kPa | Joback Calculated Property |
| Tboil | 828.59 | K | Joback Calculated Property |
| Tc | 1018.55 | K | Joback Calculated Property |
| Tfus | 352.58 | K | Joback Calculated Property |
| Vc | 1.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1349.63; 1481.73] | J/mol×K | [828.59; 1018.55] | 
|
| Cp,gas | 1349.63 | J/mol×K | 828.59 | Joback Calculated Property |
| Cp,gas | 1374.54 | J/mol×K | 860.25 | Joback Calculated Property |
| Cp,gas | 1398.15 | J/mol×K | 891.91 | Joback Calculated Property |
| Cp,gas | 1420.58 | J/mol×K | 923.57 | Joback Calculated Property |
| Cp,gas | 1441.92 | J/mol×K | 955.23 | Joback Calculated Property |
| Cp,gas | 1462.27 | J/mol×K | 986.89 | Joback Calculated Property |
| Cp,gas | 1481.73 | J/mol×K | 1018.55 | Joback Calculated Property |
| η | [0.0000116; 0.0058590] | Pa×s | [352.58; 828.59] |
|
| η | 0.0058590 | Pa×s | 352.58 | Joback Calculated Property |
| η | 0.0008009 | Pa×s | 431.91 | Joback Calculated Property |
| η | 0.0002030 | Pa×s | 511.25 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 590.59 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 669.92 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 749.25 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 828.59 | Joback Calculated Property |
| ΔvapH | [84.90; 98.50] | kJ/mol | [350.50; 460.00] |
|
| ΔvapH | 98.50 | kJ/mol | 350.50 | NIST |
| ΔvapH | 84.90 | kJ/mol | 460.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [543.80; 724.41] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.66252e+01 | |||
| Coefficient B | -6.64497e+03 | |||
| Coefficient C | -1.37070e+02 | |||
| Temperature range, min. | 543.80 | |||
| Temperature range, max. | 724.41 | |||
| Pvap | 1.33 | kPa | 543.80 | Calculated Property |
| Pvap | 2.87 | kPa | 563.87 | Calculated Property |
| Pvap | 5.78 | kPa | 583.94 | Calculated Property |
| Pvap | 10.96 | kPa | 604.00 | Calculated Property |
| Pvap | 19.70 | kPa | 624.07 | Calculated Property |
| Pvap | 33.80 | kPa | 644.14 | Calculated Property |
| Pvap | 55.67 | kPa | 664.21 | Calculated Property |
| Pvap | 88.38 | kPa | 684.27 | Calculated Property |
| Pvap | 135.81 | kPa | 704.34 | Calculated Property |
| Pvap | 202.66 | kPa | 724.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Tridecane, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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