- 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
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- 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 | 0.9963 | Relay (1.0) Calculated Property | |
| ΔfG° | -40.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.556 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1374.80 | kPa | Joback Calculated Property |
| Inp | [2184.00; 2184.00] |
|
|
| Inp | 2184.00 | NIST | |
| Inp | 2184.00 | NIST | |
| Inp | 2184.00 | NIST | |
| Tboil | 600.52 | K | Relay (1.0) Calculated Property |
| Tc | 818.74 | K | Relay (1.0) Calculated Property |
| Tfus | 333.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.986 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 54.87 | kJ/mol | 319.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.05; 897.62] | 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 | 8.68400e+00 | |||
| Coefficient B | 1.61482e+00 | |||
| Coefficient C | -9.35860e-04 | |||
| Coefficient D | 2.09980e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 384.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 472.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 550.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 621.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 683.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 738.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 786.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 828.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 865.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 897.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [547.14; 744.18] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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