- 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
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8091 | Relay (1.0) Calculated Property | |
| ΔfG° | 183.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.49 | Relay (1.0) 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 | 624.41 | K | Relay (1.0) Calculated Property |
| Tc | 789.40 | K | Relay (1.0) Calculated Property |
| Tfus | 292.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.541 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [593.83; 1470.43] | 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 | -1.02711e+02 | |||
| Coefficient B | 3.06504e+00 | |||
| Coefficient C | -2.02760e-03 | |||
| Coefficient D | 5.35700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 593.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 751.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 890.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1011.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1117.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1209.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1288.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1357.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1417.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1470.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058590; 0.0000245] | Pa×s | [352.58; 713.16] |
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 | -1.59737e+01 | |||
| Coefficient B | 3.81982e+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. | 352.58 | |||
| Temperature range, max. | 713.16 | |||
| η | 0.0058590 | Pa×s | 352.58 | Calculated Property |
| η | 0.0019397 | Pa×s | 392.64 | Calculated Property |
| η | 0.0007880 | Pa×s | 432.71 | Calculated Property |
| η | 0.0003729 | Pa×s | 472.77 | Calculated Property |
| η | 0.0001984 | Pa×s | 512.84 | Calculated Property |
| η | 0.0001156 | Pa×s | 552.90 | Calculated Property |
| η | 0.0000725 | Pa×s | 592.96 | Calculated Property |
| η | 0.0000482 | Pa×s | 633.03 | Calculated Property |
| η | 0.0000337 | Pa×s | 673.09 | Calculated Property |
| η | 0.0000245 | Pa×s | 713.16 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [543.80; 724.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 |
| Pvap | [1.81e-06; 7.62e-03] | kPa | [308.00; 393.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.23657e+01 | |||
| Coefficient B | -9.87281e+03 | |||
| Coefficient C | -3.06000e+01 | |||
| Reference | Morecroft, 1964 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 308.00 | |||
| Temperature range, max. | 393.00 | |||
| Pvap | 1.81e-06 | kPa | 308.00 | Calculated Property |
| Pvap | 5.83e-06 | kPa | 317.44 | Calculated Property |
| Pvap | 1.75e-05 | kPa | 326.89 | Calculated Property |
| Pvap | 4.89e-05 | kPa | 336.33 | Calculated Property |
| Pvap | 1.29e-04 | kPa | 345.78 | Calculated Property |
| Pvap | 3.20e-04 | kPa | 355.22 | Calculated Property |
| Pvap | 7.56e-04 | kPa | 364.67 | Calculated Property |
| Pvap | 1.70e-03 | kPa | 374.11 | Calculated Property |
| Pvap | 3.68e-03 | kPa | 383.56 | Calculated Property |
| Pvap | 7.62e-03 | kPa | 393.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Tridecane, 2,2,4,10,12,12-hexamethyl-7-(3,5,5-trimethylhexyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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