- InChI
- InChI=1S/C13H28O/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h14H,4-12H2,1-3H3
- InChI Key
- RWKMYNWNESNJQQ-UHFFFAOYSA-N
- Formula
- C13H28O
- SMILES
- CCCCC(O)(CCCC)CCCC
- Molecular Weight1
- 200.36
- CAS
- 597-93-3
- Other Names
-
- 5-Butyl-5-nonanol
- Tributylcarbinol
- Tributylmethanol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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 | 0.7618 | Relay (1.0) Calculated Property | |
| ΔfG° | -75.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.288 | Crippen Calculated Property | |
| McVol | 199.900 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Tboil | 513.59 | K | Relay (1.0) Calculated Property |
| Tc | 693.32 | K | Relay (1.0) Calculated Property |
| Tfus | 259.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.58; 617.78] | J/mol×K | [585.79; 750.08] | 
|
| Cp,gas | 532.58 | J/mol×K | 585.79 | Joback Calculated Property |
| Cp,gas | 548.46 | J/mol×K | 613.17 | Joback Calculated Property |
| Cp,gas | 563.62 | J/mol×K | 640.55 | Joback Calculated Property |
| Cp,gas | 578.11 | J/mol×K | 667.93 | Joback Calculated Property |
| Cp,gas | 591.95 | J/mol×K | 695.32 | Joback Calculated Property |
| Cp,gas | 605.16 | J/mol×K | 722.70 | Joback Calculated Property |
| Cp,gas | 617.78 | J/mol×K | 750.08 | Joback Calculated Property |
| Cp,liquid | 548.63 | J/mol×K | 298.15 | NIST |
| η | [0.0000655; 0.0196051] | Pa×s | [299.51; 585.79] |
|
| η | 0.0196051 | Pa×s | 299.51 | Joback Calculated Property |
| η | 0.0039450 | Pa×s | 347.22 | Joback Calculated Property |
| η | 0.0011695 | Pa×s | 394.94 | Joback Calculated Property |
| η | 0.0004506 | Pa×s | 442.65 | Joback Calculated Property |
| η | 0.0002090 | Pa×s | 490.36 | Joback Calculated Property |
| η | 0.0001111 | Pa×s | 538.08 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 585.79 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [411.92; 572.23] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54370e+01 | |||
| Coefficient B | -4.89492e+03 | |||
| Coefficient C | -8.88100e+01 | |||
| Temperature range, min. | 411.92 | |||
| Temperature range, max. | 572.23 | |||
| Pvap | 1.33 | kPa | 411.92 | Calculated Property |
| Pvap | 2.94 | kPa | 429.73 | Calculated Property |
| Pvap | 6.00 | kPa | 447.54 | Calculated Property |
| Pvap | 11.44 | kPa | 465.36 | Calculated Property |
| Pvap | 20.59 | kPa | 483.17 | Calculated Property |
| Pvap | 35.20 | kPa | 500.98 | Calculated Property |
| Pvap | 57.57 | kPa | 518.79 | Calculated Property |
| Pvap | 90.54 | kPa | 536.61 | Calculated Property |
| Pvap | 137.55 | kPa | 554.42 | Calculated Property |
| Pvap | 202.63 | kPa | 572.23 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Nonanol, 5-butyl-.
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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