- InChI
- InChI=1S/C16H30O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3
- InChI Key
- RAFYDKXYXRZODZ-UHFFFAOYSA-N
- Formula
- C16H30O3
- SMILES
- CCCCCCCC(=O)OC(=O)CCCCCCC
- Molecular Weight1
- 270.41
- Other Names
-
- Caprylic anhydride
- Octanoic acid, 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).
- 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 | 0.8895 | Relay (1.0) Calculated Property | |
| ΔfG° | -355.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -860.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.777 | Crippen Calculated Property | |
| McVol | 245.310 | ml/mol | McGowan Calculated Property |
| Pc | 1386.08 | kPa | Joback Calculated Property |
| Inp | 1878.30 | NIST | |
| Tboil | 555.70 | K | NIST |
| Tc | 744.39 | K | Relay (1.0) Calculated Property |
| Tfus | 272.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.955 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 459.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.16; 841.91] | 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 | 2.11120e+01 | |||
| Coefficient B | 1.44104e+00 | |||
| Coefficient C | -7.33300e-04 | |||
| Coefficient D | 1.13060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 362.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 518.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 584.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 643.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 695.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 741.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 780.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 813.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 841.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0239696; 0.0001797] | Pa×s | [272.15; 595.42] |
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 | -1.27440e+01 | |||
| Coefficient B | 2.45291e+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. | 272.15 | |||
| Temperature range, max. | 595.42 | |||
| η | 0.0239696 | Pa×s | 272.15 | Calculated Property |
| η | 0.0083806 | Pa×s | 308.07 | Calculated Property |
| η | 0.0036492 | Pa×s | 343.99 | Calculated Property |
| η | 0.0018595 | Pa×s | 379.91 | Calculated Property |
| η | 0.0010646 | Pa×s | 415.83 | Calculated Property |
| η | 0.0006660 | Pa×s | 451.75 | Calculated Property |
| η | 0.0004465 | Pa×s | 487.66 | Calculated Property |
| η | 0.0003162 | Pa×s | 523.58 | Calculated Property |
| η | 0.0002341 | Pa×s | 559.50 | Calculated Property |
| η | 0.0001797 | Pa×s | 595.42 | Calculated Property |
Similar Compounds
Find more compounds similar to OCTANOIC 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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