- InChI
- InChI=1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3
- InChI Key
- PKHMTIRCAFTBDS-UHFFFAOYSA-N
- Formula
- C12H22O3
- SMILES
- CCCCCC(=O)OC(=O)CCCCC
- Molecular Weight1
- 214.30
- CAS
- 2051-49-2
- Other Names
-
- Caproic acid anhydride
- Capronic acid anhydride
- Capronic anhydride
- Hexanoic acid, 1,1'-anhydride
- Hexanoyl anhydride
- caproic anhydride
- hexanoic anhydride
- n-Caproic anhydride
- n-Hexanoic acid anhydride
- n-Hexanoic 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).
- ρl : Liquid Density (kg/m3).
- 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 | 0.7476 | Relay (1.0) Calculated Property | |
| ΔfG° | -389.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -785.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.217 | Crippen Calculated Property | |
| McVol | 188.950 | ml/mol | McGowan Calculated Property |
| Pc | 1887.08 | kPa | Joback Calculated Property |
| Tboil | [512.15; 520.20] | K |
|
| Tboil | 520.20 | K | NIST |
| Tboil | 512.15 ± 2.00 | K | NIST |
| Tc | 698.33 | K | Relay (1.0) Calculated Property |
| Tfus | 237.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.732 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | 923.96 | kg/m3 | 298.15 | Excess Molar Enthalpies of Binary Systems of n-Valeric Anhydride or n-Hexanoic Anhydride with n-Dodecane, n-Tetradecane, or n-Hexadecane at 298.15 K |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.31; 635.55] | 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 | 2.47480e+01 | |||
| Coefficient B | 1.06104e+00 | |||
| Coefficient C | -5.15700e-04 | |||
| Coefficient D | 6.54600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 277.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 393.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 443.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 487.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 526.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 561.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 590.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 615.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 635.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035663; 0.0002520] | Pa×s | [317.26; 533.15] |
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 | -1.21806e+01 | |||
| Coefficient B | 2.07627e+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. | 317.26 | |||
| Temperature range, max. | 533.15 | |||
| η | 0.0035663 | Pa×s | 317.26 | Calculated Property |
| η | 0.0022513 | Pa×s | 341.25 | Calculated Property |
| η | 0.0015097 | Pa×s | 365.24 | Calculated Property |
| η | 0.0010635 | Pa×s | 389.22 | Calculated Property |
| η | 0.0007803 | Pa×s | 413.21 | Calculated Property |
| η | 0.0005923 | Pa×s | 437.20 | Calculated Property |
| η | 0.0004626 | Pa×s | 461.19 | Calculated Property |
| η | 0.0003703 | Pa×s | 485.17 | Calculated Property |
| η | 0.0003027 | Pa×s | 509.16 | Calculated Property |
| η | 0.0002520 | Pa×s | 533.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, anhydride.
Mixtures
- Dodecane + Hexanoic acid, anhydride
- Tetradecane + Hexanoic acid, anhydride
- Hexadecane + Hexanoic acid, anhydride
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Excess Molar Enthalpies of Binary Systems of n-Valeric Anhydride or n-Hexanoic Anhydride with n-Dodecane, n-Tetradecane, or n-Hexadecane at 298.15 K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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