- InChI
- InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3
- InChI Key
- TZZVRLFUTNYDEG-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- CCCCCC#CCCO
- Molecular Weight1
- 140.22
- CAS
- 31333-13-8
- Other Names
-
- Non-3-yn-1-ol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6348 | Relay (... Calculated Property | |
| ΔfG° | 90.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.24 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.34 | kJ/mol | Relay (... Calculated Property |
| IE | 9.55 | eV | Relay (... Calculated Property |
| log10WS | -1.81 | Relay (... Calculated Property | |
| logPoct/wat | 1.953 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Tboil | 478.98 | K | Relay (... Calculated Property |
| Tc | 687.10 | K | Relay (... Calculated Property |
| Tfus | 234.23 | K | Relay (... Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.24; 363.94] | J/mol×K | [506.50; 684.34] | 
|
| Cp,gas | 301.24 | J/mol×K | 506.50 | Joback Calculated Property |
| Cp,gas | 312.82 | J/mol×K | 536.14 | Joback Calculated Property |
| Cp,gas | 323.94 | J/mol×K | 565.78 | Joback Calculated Property |
| Cp,gas | 334.59 | J/mol×K | 595.42 | Joback Calculated Property |
| Cp,gas | 344.80 | J/mol×K | 625.06 | Joback Calculated Property |
| Cp,gas | 354.58 | J/mol×K | 654.70 | Joback Calculated Property |
| Cp,gas | 363.94 | J/mol×K | 684.34 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [384.50; 384.70] | K | [2.70; 2.70] |
|
| Tboilr | 384.70 | K | 2.70 | NIST |
| Tboilr | 384.50 ± 0.50 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.35; 202.41] | kPa | [387.15; 526.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63785e+01 | |||
| Coefficient B | -4.93670e+03 | |||
| Coefficient C | -8.01240e+01 | |||
| Temperature range, min. | 387.15 | |||
| Temperature range, max. | 526.15 | |||
| Pvap | 1.35 | kPa | 387.15 | Calculated Property |
| Pvap | 2.91 | kPa | 402.59 | Calculated Property |
| Pvap | 5.87 | kPa | 418.04 | Calculated Property |
| Pvap | 11.11 | kPa | 433.48 | Calculated Property |
| Pvap | 19.94 | kPa | 448.93 | Calculated Property |
| Pvap | 34.15 | kPa | 464.37 | Calculated Property |
| Pvap | 56.11 | kPa | 479.82 | Calculated Property |
| Pvap | 88.83 | kPa | 495.26 | Calculated Property |
| Pvap | 136.08 | kPa | 510.71 | Calculated Property |
| Pvap | 202.41 | kPa | 526.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nonyn-1-ol.
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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