- InChI
- InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)
- InChI Key
- RGTIBVZDHOMOKC-UHFFFAOYSA-N
- Formula
- C18H32O2
- SMILES
- CCCCCCCCC#CCCCCCCCC(=O)O
- Molecular Weight1
- 280.45
- CAS
- 506-24-1
- Other Names
-
- Stearolic acid
- octadec-9-ynoic acid
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 37.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.24 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 5.556 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1444.64 | kPa | Joback Calculated Property |
| Inp | 2184.00 | NIST | |
| Tboil | 766.29 | K | Joback Calculated Property |
| Tc | 947.07 | K | Joback Calculated Property |
| Tfus | 509.47 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.27; 874.10] | J/mol×K | [766.29; 947.07] | 
|
| Cp,gas | 788.27 | J/mol×K | 766.29 | Joback Calculated Property |
| Cp,gas | 804.47 | J/mol×K | 796.42 | Joback Calculated Property |
| Cp,gas | 819.87 | J/mol×K | 826.55 | Joback Calculated Property |
| Cp,gas | 834.50 | J/mol×K | 856.68 | Joback Calculated Property |
| Cp,gas | 848.39 | J/mol×K | 886.81 | Joback Calculated Property |
| Cp,gas | 861.58 | J/mol×K | 916.94 | Joback Calculated Property |
| Cp,gas | 874.10 | J/mol×K | 947.07 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [547.14; 744.18] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57549e+01 | |||
| Coefficient B | -6.33546e+03 | |||
| Coefficient C | -1.37536e+02 | |||
| Temperature range, min. | 547.14 | |||
| Temperature range, max. | 744.18 | |||
| Pvap | 1.33 | kPa | 547.14 | Calculated Property |
| Pvap | 2.92 | kPa | 569.03 | Calculated Property |
| Pvap | 5.94 | kPa | 590.93 | Calculated Property |
| Pvap | 11.30 | kPa | 612.82 | Calculated Property |
| Pvap | 20.33 | kPa | 634.71 | Calculated Property |
| Pvap | 34.80 | kPa | 656.61 | Calculated Property |
| Pvap | 57.02 | kPa | 678.50 | Calculated Property |
| Pvap | 89.93 | kPa | 700.39 | Calculated Property |
| Pvap | 137.06 | kPa | 722.29 | Calculated Property |
| Pvap | 202.64 | kPa | 744.18 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-Octadecynoic acid.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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