- InChI
- InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5-
- InChI Key
- YCTDZYMMFQCTEO-ALCCZGGFSA-N
- Formula
- C8H16
- SMILES
- CCC=CCCCC
- Molecular Weight1
- 112.21
- CAS
- 14850-22-7
- Other Names
-
- (3Z)-3-Octene
- (Z)-3-C8H16
- (Z)-3-Octene
- (Z)-Oct-3-ene
- cis-3-Octene
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3085 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.70 | kJ/mol | NIST |
| IE | [8.85; 9.05] | eV |
|
| IE | 8.86 ± 0.01 | eV | NIST |
| IE | 8.85 ± 0.01 | eV | NIST |
| IE | 9.05 ± 0.01 | eV | NIST |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | [786.90; 811.00] |
|
|
| Inp | 797.70 | NIST | |
| Inp | 786.90 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 788.70 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 788.70 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 790.20 | NIST | |
| Inp | 789.50 | NIST | |
| Inp | 790.00 | NIST | |
| Inp | Outlier 811.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 799.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 790.00 | NIST | |
| I | [853.90; 861.00] |
|
|
| I | 859.00 | NIST | |
| I | 861.00 | NIST | |
| I | 854.00 | NIST | |
| I | 854.00 | NIST | |
| I | 858.00 | NIST | |
| I | 859.40 | NIST | |
| I | 853.90 | NIST | |
| I | 854.00 | NIST | |
| I | 858.10 | NIST | |
| I | 854.00 | NIST | |
| I | 859.40 | NIST | |
| I | 853.90 | NIST | |
| I | 858.10 | NIST | |
| I | 859.00 | NIST | |
| I | 859.40 | NIST | |
| Tboil | [394.95; 396.10] | K |
|
| Tboil | 396.10 | K | NIST |
| Tboil | 396.04 ± 0.20 | K | NIST |
| Tboil | 395.85 ± 0.50 | K | NIST |
| Tboil | 394.95 ± 0.50 | K | NIST |
| Tc | 565.32 | K | Relay (1.0) Calculated Property |
| Tfus | [147.00; 147.15] | K |
|
| Tfus | 147.00 ± 2.00 | K | NIST |
| Tfus | 147.15 ± 1.50 | K | NIST |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.19; 401.47] | 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 | -1.85660e+01 | |||
| Coefficient B | 7.83840e-01 | |||
| Coefficient C | -4.95200e-04 | |||
| Coefficient D | 1.31400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.58 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 300.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 325.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 348.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 367.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 385.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 401.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0161050; 0.0001954] | Pa×s | [147.07; 391.12] |
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 | -1.11996e+01 | |||
| Coefficient B | 1.03996e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 147.07 | |||
| Temperature range, max. | 391.12 | |||
| η | 0.0161050 | Pa×s | 147.07 | Calculated Property |
| η | 0.0053570 | Pa×s | 174.19 | Calculated Property |
| η | 0.0023970 | Pa×s | 201.31 | Calculated Property |
| η | 0.0012982 | Pa×s | 228.42 | Calculated Property |
| η | 0.0008008 | Pa×s | 255.54 | Calculated Property |
| η | 0.0005420 | Pa×s | 282.66 | Calculated Property |
| η | 0.0003927 | Pa×s | 309.77 | Calculated Property |
| η | 0.0002997 | Pa×s | 336.89 | Calculated Property |
| η | 0.0002382 | Pa×s | 364.00 | Calculated Property |
| η | 0.0001954 | Pa×s | 391.12 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [289.34; 422.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43504e+01 | |||
| Coefficient B | -3.37387e+03 | |||
| Coefficient C | -4.94240e+01 | |||
| Temperature range, min. | 289.34 | |||
| Temperature range, max. | 422.68 | |||
| Pvap | 1.33 | kPa | 289.34 | Calculated Property |
| Pvap | 3.02 | kPa | 304.16 | Calculated Property |
| Pvap | 6.26 | kPa | 318.97 | Calculated Property |
| Pvap | 12.01 | kPa | 333.79 | Calculated Property |
| Pvap | 21.61 | kPa | 348.60 | Calculated Property |
| Pvap | 36.79 | kPa | 363.42 | Calculated Property |
| Pvap | 59.71 | kPa | 378.23 | Calculated Property |
| Pvap | 92.94 | kPa | 393.05 | Calculated Property |
| Pvap | 139.46 | kPa | 407.86 | Calculated Property |
| Pvap | 202.62 | kPa | 422.68 | Calculated Property |
| Pvap | [1.34; 201.16] | kPa | [288.15; 423.15] |
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 | 9.49548e+01 | |||
| Coefficient B | -7.90385e+03 | |||
| Coefficient C | -1.20056e+01 | |||
| Coefficient D | 9.12957e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 288.15 | |||
| Temperature range, max. | 423.15 | |||
| Pvap | 1.34 | kPa | 288.15 | Calculated Property |
| Pvap | 3.06 | kPa | 303.15 | Calculated Property |
| Pvap | 6.38 | kPa | 318.15 | Calculated Property |
| Pvap | 12.28 | kPa | 333.15 | Calculated Property |
| Pvap | 22.07 | kPa | 348.15 | Calculated Property |
| Pvap | 37.45 | kPa | 363.15 | Calculated Property |
| Pvap | 60.46 | kPa | 378.15 | Calculated Property |
| Pvap | 93.51 | kPa | 393.15 | Calculated Property |
| Pvap | 139.36 | kPa | 408.15 | Calculated Property |
| Pvap | 201.16 | kPa | 423.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octene, (Z)-.
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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