- InChI
- InChI=1S/C26H54/c1-5-9-13-19-25(20-14-10-6-2)23-17-18-24-26(21-15-11-7-3)22-16-12-8-4/h25-26H,5-24H2,1-4H3
- InChI Key
- PNYSRXNTUVFUNI-UHFFFAOYSA-N
- Formula
- C26H54
- SMILES
- CCCCCC(CCCCC)CCCCC(CCCCC)CCCCC
- Molecular Weight1
- 366.71
- CAS
- 15874-03-0
- Other Names
-
- 6,11-Di-n-pentylhexadecane
- 6,11-Dipentylhexadecane
- 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 | 0.9535 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.100 | Crippen Calculated Property | |
| McVol | 377.200 | ml/mol | McGowan Calculated Property |
| Pc | 731.25 | kPa | Joback Calculated Property |
| Tboil | 620.99 | K | Relay (1.0) Calculated Property |
| Tc | 784.71 | K | Relay (1.0) Calculated Property |
| Tfus | [257.00; 257.00] | K |
|
| Tfus | 257.00 ± 2.00 | K | NIST |
| Tfus | 257.00 ± 0.60 | K | NIST |
| Vc | 1.445 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1217.07; 1344.80] | J/mol×K | [793.40; 971.62] |
|
| Cp,gas | 1217.07 | J/mol×K | 793.40 | Joback Calculated Property |
| Cp,gas | 1241.13 | J/mol×K | 823.10 | Joback Calculated Property |
| Cp,gas | 1264.02 | J/mol×K | 852.81 | Joback Calculated Property |
| Cp,gas | 1285.78 | J/mol×K | 882.51 | Joback Calculated Property |
| Cp,gas | 1306.47 | J/mol×K | 912.22 | Joback Calculated Property |
| Cp,gas | 1326.13 | J/mol×K | 941.92 | Joback Calculated Property |
| Cp,gas | 1344.80 | J/mol×K | 971.62 | Joback Calculated Property |
| η | [0.0000369; 0.0031975] | Pa×s | [352.78; 793.40] |
|
| η | 0.0031975 | Pa×s | 352.78 | Joback Calculated Property |
| η | 0.0008010 | Pa×s | 426.22 | Joback Calculated Property |
| η | 0.0003014 | Pa×s | 499.65 | Joback Calculated Property |
| η | 0.0001457 | Pa×s | 573.09 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 646.53 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 719.96 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 793.40 | Joback Calculated Property |
| ΔvapH | 88.90 | kJ/mol | 486.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [522.56; 703.22] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.62611e+01 | |||
| Coefficient B | -6.28969e+03 | |||
| Coefficient C | -1.28800e+02 | |||
| Temperature range, min. | 522.56 | |||
| Temperature range, max. | 703.22 | |||
| Pvap | 1.33 | kPa | 522.56 | Calculated Property |
| Pvap | 2.89 | kPa | 542.63 | Calculated Property |
| Pvap | 5.85 | kPa | 562.71 | Calculated Property |
| Pvap | 11.10 | kPa | 582.78 | Calculated Property |
| Pvap | 19.95 | kPa | 602.85 | Calculated Property |
| Pvap | 34.20 | kPa | 622.93 | Calculated Property |
| Pvap | 56.21 | kPa | 643.00 | Calculated Property |
| Pvap | 89.00 | kPa | 663.07 | Calculated Property |
| Pvap | 136.31 | kPa | 683.15 | Calculated Property |
| Pvap | 202.64 | kPa | 703.22 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane, 6,11-dipentyl-.
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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