- InChI
- InChI=1S/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
- InChI Key
- NTQYXUJLILNTFH-UHFFFAOYSA-N
- Formula
- C9H17ClO
- SMILES
- CCCCCCCCC(=O)Cl
- Molecular Weight1
- 176.69
- Other Names
-
- Nonanoic acid chloride
- Pelargonoyl chloride
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5657 | Relay (1.0) Calculated Property | |
| ΔfG° | -115.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.502 | Crippen Calculated Property | |
| McVol | 151.480 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Inp | 1215.70 | NIST | |
| Tboil | [487.00; 493.15] | K |
|
| Tboil | 488.50 | K | NIST |
| Tboil | 487.00 ± 10.00 | K | NIST |
| Tboil | 493.15 ± 6.00 | K | NIST |
| Tc | 665.77 | K | Relay (1.0) Calculated Property |
| Tfus | 212.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [371.20; 382.20] | K | [2.00; 2.90] |
|
| Tboilr | 371.20 | K | 2.00 | NIST |
| Tboilr | 382.20 | K | 2.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.74; 480.94] | 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 | 1.49570e+01 | |||
| Coefficient B | 8.37620e-01 | |||
| Coefficient C | -4.67500e-04 | |||
| Coefficient D | 9.58600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 257.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 298.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 335.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 397.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 422.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 445.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 464.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 480.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0205164; 0.0003428] | Pa×s | [212.40; 473.75] |
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 | -1.13036e+01 | |||
| Coefficient B | 1.57539e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 212.40 | |||
| Temperature range, max. | 473.75 | |||
| η | 0.0205164 | Pa×s | 212.40 | Calculated Property |
| η | 0.0084077 | Pa×s | 241.44 | Calculated Property |
| η | 0.0041729 | Pa×s | 270.48 | Calculated Property |
| η | 0.0023725 | Pa×s | 299.52 | Calculated Property |
| η | 0.0014904 | Pa×s | 328.55 | Calculated Property |
| η | 0.0010097 | Pa×s | 357.59 | Calculated Property |
| η | 0.0007253 | Pa×s | 386.63 | Calculated Property |
| η | 0.0005456 | Pa×s | 415.67 | Calculated Property |
| η | 0.0004260 | Pa×s | 444.71 | Calculated Property |
| η | 0.0003428 | Pa×s | 473.75 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoyl chloride.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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