- InChI
- InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3,8-9H,1,4-7H2,2H3
- InChI Key
- MJWKMORBWQZWOT-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- C=CCCC(O)CCC
- Molecular Weight1
- 128.21
- 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).
- 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 | 0.5823 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.114 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Inp | [952.00; 983.00] |
|
|
| Inp | 983.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 983.00 | NIST | |
| I | [1449.00; 1453.00] |
|
|
| I | 1453.00 | NIST | |
| I | 1449.00 | NIST | |
| I | 1453.00 | NIST | |
| Tboil | 443.63 | K | Relay (1.0) Calculated Property |
| Tc | 619.65 | K | Relay (1.0) Calculated Property |
| Tfus | 231.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.57; 422.75] | 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 | -3.76600e+00 | |||
| Coefficient B | 7.83720e-01 | |||
| Coefficient C | -4.67900e-04 | |||
| Coefficient D | 1.10700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 177.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 219.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 257.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 291.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 320.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 346.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 369.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 389.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 407.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 422.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1097275; 0.0002402] | Pa×s | [223.98; 445.92] |
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 | -1.45143e+01 | |||
| Coefficient B | 2.75597e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 223.98 | |||
| Temperature range, max. | 445.92 | |||
| η | 0.1097275 | Pa×s | 223.98 | Calculated Property |
| η | 0.0323835 | Pa×s | 248.64 | Calculated Property |
| η | 0.0119117 | Pa×s | 273.30 | Calculated Property |
| η | 0.0051703 | Pa×s | 297.96 | Calculated Property |
| η | 0.0025496 | Pa×s | 322.62 | Calculated Property |
| η | 0.0013901 | Pa×s | 347.28 | Calculated Property |
| η | 0.0008214 | Pa×s | 371.94 | Calculated Property |
| η | 0.0005181 | Pa×s | 396.60 | Calculated Property |
| η | 0.0003450 | Pa×s | 421.26 | Calculated Property |
| η | 0.0002402 | Pa×s | 445.92 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Octen-4-ol.
Sources
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