- InChI
- InChI=1S/C10H22/c1-5-9(6-2)10(7-3)8-4/h9-10H,5-8H2,1-4H3
- InChI Key
- VBZCRMTUDYIWIH-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(CC)C(CC)CC
- Molecular Weight1
- 142.28
- CAS
- 19398-77-7
- Other Names
-
- 3,3-Diethylhexane
- 3,4-DIETHYLHEXANE
- Hexane, 3,4-diethyl-
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.70 | kJ/mol | NIST |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | [937.00; 979.00] |
|
|
| Inp | 946.00 | NIST | |
| Inp | 945.80 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | 939.50 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | Outlier 979.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 937.00 | NIST | |
| Inp | Outlier 979.00 | NIST | |
| Tboil | [430.70; 435.90] | K |
|
| Tboil | 430.70 ± 2.00 | K | NIST |
| Tboil | 435.90 ± 1.50 | K | NIST |
| Tc | 596.92 | K | Joback Calculated Property |
| Tfus | 172.46 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.26; 401.95] | J/mol×K | [427.32; 596.92] |
|
| Cp,gas | 315.26 | J/mol×K | 427.32 | Joback Calculated Property |
| Cp,gas | 331.18 | J/mol×K | 455.59 | Joback Calculated Property |
| Cp,gas | 346.50 | J/mol×K | 483.85 | Joback Calculated Property |
| Cp,gas | 361.21 | J/mol×K | 512.12 | Joback Calculated Property |
| Cp,gas | 375.35 | J/mol×K | 540.39 | Joback Calculated Property |
| Cp,gas | 388.93 | J/mol×K | 568.65 | Joback Calculated Property |
| Cp,gas | 401.95 | J/mol×K | 596.92 | Joback Calculated Property |
| η | [0.0002171; 0.0214146] | Pa×s | [172.46; 427.32] |
|
| η | 0.0214146 | Pa×s | 172.46 | Joback Calculated Property |
| η | 0.0046771 | Pa×s | 214.94 | Joback Calculated Property |
| η | 0.0016877 | Pa×s | 257.41 | Joback Calculated Property |
| η | 0.0008129 | Pa×s | 299.89 | Joback Calculated Property |
| η | 0.0004693 | Pa×s | 342.37 | Joback Calculated Property |
| η | 0.0003059 | Pa×s | 384.84 | Joback Calculated Property |
| η | 0.0002171 | Pa×s | 427.32 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 2349.39] | kPa | [319.15; 618.80] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.81423e+01 | |||
| Coefficient B | -8.91376e+03 | |||
| Coefficient C | -1.22589e+01 | |||
| Coefficient D | 7.37011e-06 | |||
| Temperature range, min. | 319.15 | |||
| Temperature range, max. | 618.80 | |||
| Pvap | 1.33 | kPa | 319.15 | Calculated Property |
| Pvap | 6.48 | kPa | 352.44 | Calculated Property |
| Pvap | 22.80 | kPa | 385.74 | Calculated Property |
| Pvap | 63.15 | kPa | 419.03 | Calculated Property |
| Pvap | 146.62 | kPa | 452.33 | Calculated Property |
| Pvap | 298.39 | kPa | 485.62 | Calculated Property |
| Pvap | 549.88 | kPa | 518.92 | Calculated Property |
| Pvap | 940.00 | kPa | 552.21 | Calculated Property |
| Pvap | 1518.17 | kPa | 585.51 | Calculated Property |
| Pvap | 2349.39 | kPa | 618.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Diethyl hexane.
Sources
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that the value is more than 2 standard deviations away from the
property mean.