- InChI
- InChI=1S/C13H28O/c1-3-5-7-8-9-10-12-13(14)11-6-4-2/h13-14H,3-12H2,1-2H3
- InChI Key
- GRDYSMCYPTWIPT-UHFFFAOYSA-N
- Formula
- C13H28O
- SMILES
- CCCCCCCCC(O)CCCC
- Molecular Weight1
- 200.36
- CAS
- 58783-82-7
- 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 | 0.8055 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.288 | Crippen Calculated Property | |
| McVol | 199.900 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | [1574.00; 1574.00] |
|
|
| Inp | 1574.00 | NIST | |
| Inp | 1574.00 | NIST | |
| I | [1873.00; 1873.00] |
|
|
| I | 1873.00 | NIST | |
| I | 1873.00 | NIST | |
| Tboil | 530.04 | K | Relay (1.0) Calculated Property |
| Tc | 712.33 | K | Relay (1.0) Calculated Property |
| Tfus | 292.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.785 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.45; 709.22] | 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 | -5.32000e+00 | |||
| Coefficient B | 1.27874e+00 | |||
| Coefficient C | -7.17000e-04 | |||
| Coefficient D | 1.52800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 293.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 364.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 427.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 484.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 534.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 579.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 618.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 652.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 682.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 709.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0293029; 0.0001337] | Pa×s | [282.09; 524.19] |
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 | -1.51999e+01 | |||
| Coefficient B | 3.29193e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 282.09 | |||
| Temperature range, max. | 524.19 | |||
| η | 0.0293029 | Pa×s | 282.09 | Calculated Property |
| η | 0.0106094 | Pa×s | 308.99 | Calculated Property |
| η | 0.0045200 | Pa×s | 335.89 | Calculated Property |
| η | 0.0021854 | Pa×s | 362.79 | Calculated Property |
| η | 0.0011682 | Pa×s | 389.69 | Calculated Property |
| η | 0.0006770 | Pa×s | 416.59 | Calculated Property |
| η | 0.0004192 | Pa×s | 443.49 | Calculated Property |
| η | 0.0002742 | Pa×s | 470.39 | Calculated Property |
| η | 0.0001878 | Pa×s | 497.29 | Calculated Property |
| η | 0.0001337 | Pa×s | 524.19 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [414.16; 571.46] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56774e+01 | |||
| Coefficient B | -4.99511e+03 | |||
| Coefficient C | -8.95880e+01 | |||
| Temperature range, min. | 414.16 | |||
| Temperature range, max. | 571.46 | |||
| Pvap | 1.33 | kPa | 414.16 | Calculated Property |
| Pvap | 2.93 | kPa | 431.64 | Calculated Property |
| Pvap | 5.95 | kPa | 449.12 | Calculated Property |
| Pvap | 11.34 | kPa | 466.59 | Calculated Property |
| Pvap | 20.39 | kPa | 484.07 | Calculated Property |
| Pvap | 34.89 | kPa | 501.55 | Calculated Property |
| Pvap | 57.15 | kPa | 519.03 | Calculated Property |
| Pvap | 90.07 | kPa | 536.50 | Calculated Property |
| Pvap | 137.17 | kPa | 553.98 | Calculated Property |
| Pvap | 202.63 | kPa | 571.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Tridecanol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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