- InChI
- InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3
- InChI Key
- IPIVAXLHTVNRBS-UHFFFAOYSA-N
- Formula
- C10H19ClO
- SMILES
- CCCCCCCCCC(=O)Cl
- Molecular Weight1
- 190.71
- CAS
- 112-13-0
- Other Names
-
- Capric acid chloride
- Caprinoyl chloride
- n-Decanoyl 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 | 0.6038 | Relay (1.0) Calculated Property | |
| ΔfG° | -107.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.892 | Crippen Calculated Property | |
| McVol | 165.570 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Inp | 1316.40 | NIST | |
| Tboil | 498.64 | K | Relay (1.0) Calculated Property |
| Tc | 682.64 | K | Relay (1.0) Calculated Property |
| Tfus | 238.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.633 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.20 | K | 0.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.95; 532.53] | 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 | 1.40480e+01 | |||
| Coefficient B | 9.32620e-01 | |||
| Coefficient C | -5.21900e-04 | |||
| Coefficient D | 1.07760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 231.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 283.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 329.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 370.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 407.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 439.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 467.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 492.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 514.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 532.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0119972; 0.0003325] | Pa×s | [238.40; 488.57] |
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 | -1.14262e+01 | |||
| Coefficient B | 1.66955e+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. | 238.40 | |||
| Temperature range, max. | 488.57 | |||
| η | 0.0119972 | Pa×s | 238.40 | Calculated Property |
| η | 0.0057742 | Pa×s | 266.20 | Calculated Property |
| η | 0.0031913 | Pa×s | 293.99 | Calculated Property |
| η | 0.0019540 | Pa×s | 321.79 | Calculated Property |
| η | 0.0012935 | Pa×s | 349.59 | Calculated Property |
| η | 0.0009099 | Pa×s | 377.38 | Calculated Property |
| η | 0.0006717 | Pa×s | 405.18 | Calculated Property |
| η | 0.0005156 | Pa×s | 432.97 | Calculated Property |
| η | 0.0004086 | Pa×s | 460.77 | Calculated Property |
| η | 0.0003325 | Pa×s | 488.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Decanoyl 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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