- InChI
- InChI=1S/C10H22/c1-4-7-9-10(6-3)8-5-2/h10H,4-9H2,1-3H3
- InChI Key
- NRJUFUBKIFIKFI-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCCC(CC)CCC
- Molecular Weight1
- 142.29
- CAS
- 15869-86-0
- Other Names
-
- 4-Ethyloctane
- 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).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- NFPA Fire : NFPA Fire Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4430 | KDB | |
| ΔfG° | 30.88 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6778.33 | kJ/mol | KDB |
| Δc,netH | 6294.201 | kJ/mol | KDB |
| ΔfH°gas | -244.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.10 | kJ/mol | NIST |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.003 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| Pc | 2180.00 | kPa | KDB |
| Inp | [950.90; 966.20] |
|
|
| Inp | 952.00 | NIST | |
| Inp | 956.10 | NIST | |
| Inp | 956.20 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 951.50 | NIST | |
| Inp | 950.90 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | Outlier 966.20 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 956.10 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 956.10 | NIST | |
| I | [952.00; 952.00] |
|
|
| I | 952.00 | NIST | |
| I | 952.00 | NIST | |
| Tboil | [436.51; 436.80] | K |
|
| Tboil | 436.80 | K | KDB |
| Tboil | 436.51 ± 0.20 | K | NIST |
| Tc | 609.60 | K | KDB |
| Tfus | 185.00 | K | KDB |
| Vc | 0.552 | m3/kmol | KDB |
| Zc | 0.2374180 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 38.28 | kJ/mol | 436.80 | KDB |
| n0 | 1.41310 | 298.15 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.31; 535.78] | 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 | -7.88400e+00 | |||
| Coefficient B | 9.59760e-01 | |||
| Coefficient C | -5.23400e-04 | |||
| Coefficient D | 1.07300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 217.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 362.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 400.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 435.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 465.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 492.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 515.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 535.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0118439; 0.0002282] | Pa×s | [185.00; 426.72] |
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 | -1.14082e+01 | |||
| Coefficient B | 1.28986e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 185.00 | |||
| Temperature range, max. | 426.72 | |||
| η | 0.0118439 | Pa×s | 185.00 | Calculated Property |
| η | 0.0048936 | Pa×s | 211.86 | Calculated Property |
| η | 0.0024668 | Pa×s | 238.72 | Calculated Property |
| η | 0.0014283 | Pa×s | 265.57 | Calculated Property |
| η | 0.0009143 | Pa×s | 292.43 | Calculated Property |
| η | 0.0006309 | Pa×s | 319.29 | Calculated Property |
| η | 0.0004611 | Pa×s | 346.15 | Calculated Property |
| η | 0.0003526 | Pa×s | 373.00 | Calculated Property |
| η | 0.0002795 | Pa×s | 399.86 | Calculated Property |
| η | 0.0002282 | Pa×s | 426.72 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [320.91; 465.62] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43819e+01 | |||
| Coefficient B | -3.68234e+03 | |||
| Coefficient C | -5.96500e+01 | |||
| Temperature range, min. | 320.91 | |||
| Temperature range, max. | 465.62 | |||
| Pvap | 1.33 | kPa | 320.91 | Calculated Property |
| Pvap | 3.02 | kPa | 336.99 | Calculated Property |
| Pvap | 6.25 | kPa | 353.07 | Calculated Property |
| Pvap | 11.99 | kPa | 369.15 | Calculated Property |
| Pvap | 21.58 | kPa | 385.23 | Calculated Property |
| Pvap | 36.74 | kPa | 401.30 | Calculated Property |
| Pvap | 59.64 | kPa | 417.38 | Calculated Property |
| Pvap | 92.87 | kPa | 433.46 | Calculated Property |
| Pvap | 139.41 | kPa | 449.54 | Calculated Property |
| Pvap | 202.65 | kPa | 465.62 | Calculated Property |
| Pvap | [1.35; 2183.77] | kPa | [321.15; 609.60] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.08465e+02 | |||
| Coefficient B | -9.48733e+03 | |||
| Coefficient C | -1.37699e+01 | |||
| Coefficient D | 8.31899e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 321.15 | |||
| Temperature range, max. | 609.60 | |||
| Pvap | 1.35 | kPa | 321.15 | Calculated Property |
| Pvap | 6.38 | kPa | 353.20 | Calculated Property |
| Pvap | 21.93 | kPa | 385.25 | Calculated Property |
| Pvap | 59.92 | kPa | 417.30 | Calculated Property |
| Pvap | 137.92 | kPa | 449.35 | Calculated Property |
| Pvap | 279.17 | kPa | 481.40 | Calculated Property |
| Pvap | 512.72 | kPa | 513.45 | Calculated Property |
| Pvap | 874.73 | kPa | 545.50 | Calculated Property |
| Pvap | 1411.38 | kPa | 577.55 | Calculated Property |
| Pvap | 2183.77 | kPa | 609.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 4-ethyl-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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