- InChI
- InChI=1S/C12H26/c1-4-7-8-9-10-11-12(5-2)6-3/h12H,4-11H2,1-3H3
- InChI Key
- ZBDDVSBBCGZQDV-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCCCCCCC(CC)CC
- Molecular Weight1
- 170.33
- CAS
- 17085-96-0
- 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).
- 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 | 0.5212 | Relay (1.0) Calculated Property | |
| ΔfG° | 47.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.783 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1792.42 | kPa | Joback Calculated Property |
| Tboil | [475.20; 482.00] | K |
|
| Tboil | 482.00 ± 3.00 | K | NIST |
| Tboil | 475.20 ± 2.00 | K | NIST |
| Tc | 651.30 | K | Relay (1.0) Calculated Property |
| Tfus | 345.00 ± 4.00 | K | NIST |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.73; 638.96] | 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 | -9.70200e+00 | |||
| Coefficient B | 1.14976e+00 | |||
| Coefficient C | -6.32200e-04 | |||
| Coefficient D | 1.31100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 259.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 323.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 381.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 432.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 478.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 519.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 555.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 587.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 614.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 638.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006480; 0.0002445] | Pa×s | [345.00; 446.61] |
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 | -1.16262e+01 | |||
| Coefficient B | 1.47818e+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. | 345.00 | |||
| Temperature range, max. | 446.61 | |||
| η | 0.0006480 | Pa×s | 345.00 | Calculated Property |
| η | 0.0005657 | Pa×s | 356.29 | Calculated Property |
| η | 0.0004980 | Pa×s | 367.58 | Calculated Property |
| η | 0.0004418 | Pa×s | 378.87 | Calculated Property |
| η | 0.0003946 | Pa×s | 390.16 | Calculated Property |
| η | 0.0003548 | Pa×s | 401.45 | Calculated Property |
| η | 0.0003208 | Pa×s | 412.74 | Calculated Property |
| η | 0.0002916 | Pa×s | 424.03 | Calculated Property |
| η | 0.0002664 | Pa×s | 435.32 | Calculated Property |
| η | 0.0002445 | Pa×s | 446.61 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [360.33; 512.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42055e+01 | |||
| Coefficient B | -3.74412e+03 | |||
| Coefficient C | -9.13150e+01 | |||
| Temperature range, min. | 360.33 | |||
| Temperature range, max. | 512.29 | |||
| Pvap | 1.33 | kPa | 360.33 | Calculated Property |
| Pvap | 3.03 | kPa | 377.21 | Calculated Property |
| Pvap | 6.30 | kPa | 394.10 | Calculated Property |
| Pvap | 12.10 | kPa | 410.98 | Calculated Property |
| Pvap | 21.77 | kPa | 427.87 | Calculated Property |
| Pvap | 37.04 | kPa | 444.75 | Calculated Property |
| Pvap | 60.04 | kPa | 461.64 | Calculated Property |
| Pvap | 93.31 | kPa | 478.52 | Calculated Property |
| Pvap | 139.76 | kPa | 495.41 | Calculated Property |
| Pvap | 202.67 | kPa | 512.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-ethyldecane.
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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