- InChI
- InChI=1S/C10H22/c1-4-7-8-9-10(5-2)6-3/h10H,4-9H2,1-3H3
- InChI Key
- OEYGTUAKNZFCDJ-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCCCC(CC)CC
- Molecular Weight1
- 142.28
- CAS
- 5881-17-4
- Other Names
-
- 3-Ethyloctane
- ω : Acentric Factor.
- AP : Aniline Point (K).
- 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.
- 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 | 0.4460 | KDB | |
| AP | 348.150 | K | KDB |
| ΔfG° | 30.88 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6773.98 | kJ/mol | KDB |
| Δc,netH | 6289.850 | kJ/mol | KDB |
| ΔfH°gas | -249.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.00 | kJ/mol | NIST |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | 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 | 2190.00 | kPa | KDB |
| Inp | [951.00; 974.50] |
|
|
| Inp | 964.00 | NIST | |
| Inp | 967.90 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 964.70 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 965.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | Outlier 951.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 974.50 | NIST | |
| Inp | 967.90 | NIST | |
| Inp | 971.30 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 968.42 | NIST | |
| Inp | 968.93 | NIST | |
| Inp | 969.13 | NIST | |
| Inp | 968.10 | NIST | |
| Inp | 968.53 | NIST | |
| Inp | 968.75 | NIST | |
| Inp | 967.00 | NIST | |
| Inp | 966.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 964.70 | NIST | |
| Inp | Outlier 951.00 | NIST | |
| Inp | 966.00 | NIST | |
| Tboil | 439.70 | K | KDB |
| Tc | 613.60 | K | KDB |
| Tfus | 185.00 | K | KDB |
| Vc | 0.561 | m3/kmol | KDB |
| Zc | 0.2408160 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 38.70 | kJ/mol | 439.70 | KDB |
| n0 | 1.41360 | 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; 0.0002237] | Pa×s | [185.00; 429.52] |
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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 185.00 | |||
| Temperature range, max. | 429.52 | |||
| η | 0.0118439 | Pa×s | 185.00 | Calculated Property |
| η | 0.0048501 | Pa×s | 212.17 | Calculated Property |
| η | 0.0024324 | Pa×s | 239.34 | Calculated Property |
| η | 0.0014042 | Pa×s | 266.51 | Calculated Property |
| η | 0.0008974 | Pa×s | 293.68 | Calculated Property |
| η | 0.0006187 | Pa×s | 320.84 | Calculated Property |
| η | 0.0004520 | Pa×s | 348.01 | Calculated Property |
| η | 0.0003456 | Pa×s | 375.18 | Calculated Property |
| η | 0.0002740 | Pa×s | 402.35 | Calculated Property |
| η | 0.0002237 | Pa×s | 429.52 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [323.38; 468.59] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43717e+01 | |||
| Coefficient B | -3.68827e+03 | |||
| Coefficient C | -6.15080e+01 | |||
| Temperature range, min. | 323.38 | |||
| Temperature range, max. | 468.59 | |||
| Pvap | 1.33 | kPa | 323.38 | Calculated Property |
| Pvap | 3.02 | kPa | 339.51 | Calculated Property |
| Pvap | 6.25 | kPa | 355.65 | Calculated Property |
| Pvap | 12.00 | kPa | 371.78 | Calculated Property |
| Pvap | 21.59 | kPa | 387.92 | Calculated Property |
| Pvap | 36.76 | kPa | 404.05 | Calculated Property |
| Pvap | 59.67 | kPa | 420.19 | Calculated Property |
| Pvap | 92.89 | kPa | 436.32 | Calculated Property |
| Pvap | 139.43 | kPa | 452.46 | Calculated Property |
| Pvap | 202.65 | kPa | 468.59 | Calculated Property |
| Pvap | [1.32; 2191.13] | kPa | [323.15; 613.60] |
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 | 1.09681e+02 | |||
| Coefficient B | -9.63118e+03 | |||
| Coefficient C | -1.39251e+01 | |||
| Coefficient D | 8.22575e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 323.15 | |||
| Temperature range, max. | 613.60 | |||
| Pvap | 1.32 | kPa | 323.15 | Calculated Property |
| Pvap | 6.27 | kPa | 355.42 | Calculated Property |
| Pvap | 21.73 | kPa | 387.69 | Calculated Property |
| Pvap | 59.67 | kPa | 419.97 | Calculated Property |
| Pvap | 137.82 | kPa | 452.24 | Calculated Property |
| Pvap | 279.59 | kPa | 484.51 | Calculated Property |
| Pvap | 514.17 | kPa | 516.78 | Calculated Property |
| Pvap | 877.78 | kPa | 549.06 | Calculated Property |
| Pvap | 1416.50 | kPa | 581.33 | Calculated Property |
| Pvap | 2191.13 | kPa | 613.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 3-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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