- InChI
- InChI=1S/C20H38O3/c1-3-5-7-9-11-13-15-17-19(21)23-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
- InChI Key
- HTWWKYKIBSHDPC-UHFFFAOYSA-N
- Formula
- C20H38O3
- SMILES
- CCCCCCCCCC(=O)OC(=O)CCCCCCCCC
- Molecular Weight1
- 326.51
- CAS
- 2082-76-0
- Other Names
-
- Capric anhydride
- Decanoic acid, anhydride
- n-Capric anhydride
- 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).
- 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 | 1.0303 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -941.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.338 | Crippen Calculated Property | |
| McVol | 301.670 | ml/mol | McGowan Calculated Property |
| Pc | 1061.02 | kPa | Joback Calculated Property |
| Inp | [2278.00; 2278.00] |
|
|
| Inp | 2278.00 | NIST | |
| Inp | 2278.00 | NIST | |
| Tboil | 598.94 | K | Relay (1.0) Calculated Property |
| Tc | 780.36 | K | Relay (1.0) Calculated Property |
| Tfus | 297.85 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.181 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.02; 1048.28] | 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 | 1.74760e+01 | |||
| Coefficient B | 1.82104e+00 | |||
| Coefficient C | -9.50900e-04 | |||
| Coefficient D | 1.60660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 447.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 549.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 642.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 725.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 799.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 864.26 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 921.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 970.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1012.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1048.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0212459; 0.0001137] | Pa×s | [297.85; 662.79] |
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 | -1.33515e+01 | |||
| Coefficient B | 2.82955e+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. | 297.85 | |||
| Temperature range, max. | 662.79 | |||
| η | 0.0212459 | Pa×s | 297.85 | Calculated Property |
| η | 0.0068061 | Pa×s | 338.40 | Calculated Property |
| η | 0.0027818 | Pa×s | 378.95 | Calculated Property |
| η | 0.0013517 | Pa×s | 419.50 | Calculated Property |
| η | 0.0007459 | Pa×s | 460.05 | Calculated Property |
| η | 0.0004532 | Pa×s | 500.60 | Calculated Property |
| η | 0.0002967 | Pa×s | 541.14 | Calculated Property |
| η | 0.0002061 | Pa×s | 581.69 | Calculated Property |
| η | 0.0001501 | Pa×s | 622.24 | Calculated Property |
| η | 0.0001137 | Pa×s | 662.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Decanoic anhydride.
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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