- InChI
- InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
- InChI Key
- LGYNIFWIKSEESD-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CCCCC(C=O)CC
- Molecular Weight1
- 128.21
- CAS
- 123-05-7
- Other Names
-
- 2-Ethylcaproaldehyde
- 2-Ethylhexaldehyde
- 2-Ethylhexan-1-al
- 2-Ethylhexanal
- 2-Ethylhexylaldehyde
- 3-Formylheptane
- Butylethylacetaldehyde
- Ethylbutylacetaldehyde
- NSC 42871
- «alpha»-Ethylcaproaldehyde
- «alpha»-Ethylhexanal
- «alpha»-Ethylcaproaldehyde
- «alpha»-Ethylhexanal
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°liquid | -5086.20 ± 0.75 | kJ/mol | NIST |
| ΔfG° | -85.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -299.31 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -348.60 ± 0.75 | kJ/mol | NIST |
| ΔfusH° | 15.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.73 | kJ/mol | Joback Calculated Property |
| log10WS | [-2.13; -2.13] |
|
|
| log10WS | -2.13 | Aq. Sol... | |
| log10WS | -2.13 | Estimat... | |
| logPoct/wat | 2.402 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Inp | [926.00; 963.00] |
|
|
| Inp | 940.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 954.50 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 933.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 941.00 | NIST | |
| I | [1197.80; 1220.60] |
|
|
| I | 1220.60 | NIST | |
| I | 1197.80 | NIST | |
| I | 1205.90 | NIST | |
| I | 1213.10 | NIST | |
| I | 1216.00 | NIST | |
| I | 1198.00 | NIST | |
| I | 1216.00 | NIST | |
| I | 1220.60 | NIST | |
| Tboil | [433.15; 437.15] | K |
|
| Tboil | 437.15 | K | NIST |
| Tboil | 433.15 ± 2.00 | K | NIST |
| Tboil | 434.65 ± 3.00 | K | NIST |
| Tc | 605.22 | K | Joback Calculated Property |
| Tfus | 206.92 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.75; 324.51] | J/mol×K | [430.66; 605.22] |
|
| Cp,gas | 256.75 | J/mol×K | 430.66 | Joback Calculated Property |
| Cp,gas | 269.26 | J/mol×K | 459.75 | Joback Calculated Property |
| Cp,gas | 281.26 | J/mol×K | 488.85 | Joback Calculated Property |
| Cp,gas | 292.77 | J/mol×K | 517.94 | Joback Calculated Property |
| Cp,gas | 303.81 | J/mol×K | 547.04 | Joback Calculated Property |
| Cp,gas | 314.39 | J/mol×K | 576.13 | Joback Calculated Property |
| Cp,gas | 324.51 | J/mol×K | 605.22 | Joback Calculated Property |
| η | [0.0003026; 0.0077983] | Pa×s | [206.92; 430.66] |
|
| η | 0.0077983 | Pa×s | 206.92 | Joback Calculated Property |
| η | 0.0030008 | Pa×s | 244.21 | Joback Calculated Property |
| η | 0.0014872 | Pa×s | 281.50 | Joback Calculated Property |
| η | 0.0008686 | Pa×s | 318.79 | Joback Calculated Property |
| η | 0.0005678 | Pa×s | 356.08 | Joback Calculated Property |
| η | 0.0004023 | Pa×s | 393.37 | Joback Calculated Property |
| η | 0.0003026 | Pa×s | 430.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 328.20 | K | 1.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [329.54; 462.95] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53956e+01 | |||
| Coefficient B | -4.04583e+03 | |||
| Coefficient C | -6.17460e+01 | |||
| Temperature range, min. | 329.54 | |||
| Temperature range, max. | 462.95 | |||
| Pvap | 1.33 | kPa | 329.54 | Calculated Property |
| Pvap | 2.94 | kPa | 344.36 | Calculated Property |
| Pvap | 6.01 | kPa | 359.19 | Calculated Property |
| Pvap | 11.46 | kPa | 374.01 | Calculated Property |
| Pvap | 20.62 | kPa | 388.83 | Calculated Property |
| Pvap | 35.26 | kPa | 403.66 | Calculated Property |
| Pvap | 57.65 | kPa | 418.48 | Calculated Property |
| Pvap | 90.63 | kPa | 433.30 | Calculated Property |
| Pvap | 137.62 | kPa | 448.13 | Calculated Property |
| Pvap | 202.63 | kPa | 462.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanal, 2-ethyl-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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