- InChI
- InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3
- InChI Key
- WYVAMUWZEOHJOQ-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- CCC(=O)OC(=O)CC
- Molecular Weight1
- 130.14
- CAS
- 123-62-6
- Other Names
-
- Anhydrid kyseliny propionove
- C2H5C(O)OC(O)C2H5
- Propanoic acid, 1,1'-anhydride
- Propionic acid anhydride
- UN 2496
- methylacetic anhydride
- propanoic anhydride
- propionic acid, anhydride
- propionic anhydride
- propionyl oxide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- 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 | 0.5222 | Relay (1.0) Calculated Property | |
| ΔfG° | -439.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.876 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 2 | KDB | |
| NFPA Safety | 1 | KDB | |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Tboil | [438.15; 469.15] | K |
|
| Tboil | 440.15 | K | KDB |
| Tboil | 440.20 | K | NIST |
| Tboil | 442.15 | K | NIST |
| Tboil | 440.40 ± 0.50 | K | NIST |
| Tboil | 440.00 ± 0.50 | K | NIST |
| Tboil | 438.15 ± 2.00 | K | NIST |
| Tboil | Outlier 469.15 ± 1.00 | K | NIST |
| Tboil | 440.15 ± 1.50 | K | NIST |
| Tboil | 438.15 ± 3.00 | K | NIST |
| Tc | 602.44 | K | Relay (1.0) Calculated Property |
| Tfus | [228.15; 230.15] | K |
|
| Tfus | 230.15 | K | NIST |
| Tfus | 228.15 ± 0.50 | K | NIST |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [48.20; 52.20] | kJ/mol | [366.50; 390.50] |
|
| ΔvapH | 48.20 | kJ/mol | 366.50 | NIST |
| ΔvapH | 52.20 | kJ/mol | 390.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 340.70 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [150.03; 326.00] | 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 | 3.02020e+01 | |||
| Coefficient B | 4.91040e-01 | |||
| Coefficient C | -1.89300e-04 | |||
| Coefficient D | -5.94000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 150.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 232.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 254.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 274.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 290.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 305.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 317.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 326.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0075208; 0.0003089] | Pa×s | [229.15; 444.12] |
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 | -1.14854e+01 | |||
| Coefficient B | 1.51131e+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. | 229.15 | |||
| Temperature range, max. | 444.12 | |||
| η | 0.0075208 | Pa×s | 229.15 | Calculated Property |
| η | 0.0040354 | Pa×s | 253.04 | Calculated Property |
| η | 0.0024107 | Pa×s | 276.92 | Calculated Property |
| η | 0.0015629 | Pa×s | 300.81 | Calculated Property |
| η | 0.0010800 | Pa×s | 324.69 | Calculated Property |
| η | 0.0007851 | Pa×s | 348.58 | Calculated Property |
| η | 0.0005945 | Pa×s | 372.46 | Calculated Property |
| η | 0.0004655 | Pa×s | 396.35 | Calculated Property |
| η | 0.0003748 | Pa×s | 420.24 | Calculated Property |
| η | 0.0003089 | Pa×s | 444.12 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [287.16; 471.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.40259e+01 | |||
| Coefficient B | -1.62754e+04 | |||
| Coefficient C | 3.98458e+02 | |||
| Temperature range, min. | 287.16 | |||
| Temperature range, max. | 471.21 | |||
| Pvap | 1.33 | kPa | 287.16 | Calculated Property |
| Pvap | 2.65 | kPa | 307.61 | Calculated Property |
| Pvap | 5.07 | kPa | 328.06 | Calculated Property |
| Pvap | 9.37 | kPa | 348.51 | Calculated Property |
| Pvap | 16.74 | kPa | 368.96 | Calculated Property |
| Pvap | 29.03 | kPa | 389.41 | Calculated Property |
| Pvap | 48.96 | kPa | 409.86 | Calculated Property |
| Pvap | 80.47 | kPa | 430.31 | Calculated Property |
| Pvap | 129.13 | kPa | 450.76 | Calculated Property |
| Pvap | 202.65 | kPa | 471.21 | Calculated Property |
| Pvap | [2.27e-04; 3003.77] | kPa | [228.15; 618.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 8.33844e+01 | |||
| Coefficient B | -8.86827e+03 | |||
| Coefficient C | -9.79008e+00 | |||
| Coefficient D | 4.94606e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 228.15 | |||
| Temperature range, max. | 618.00 | |||
| Pvap | 2.27e-04 | kPa | 228.15 | Calculated Property |
| Pvap | 0.02 | kPa | 271.47 | Calculated Property |
| Pvap | 0.54 | kPa | 314.78 | Calculated Property |
| Pvap | 5.37 | kPa | 358.10 | Calculated Property |
| Pvap | 29.89 | kPa | 401.42 | Calculated Property |
| Pvap | 112.98 | kPa | 444.73 | Calculated Property |
| Pvap | 326.03 | kPa | 488.05 | Calculated Property |
| Pvap | 776.02 | kPa | 531.37 | Calculated Property |
| Pvap | 1606.65 | kPa | 574.68 | Calculated Property |
| Pvap | 3003.77 | kPa | 618.00 | Calculated Property |
| Pvap | [2.28; 100.77] | kPa | [340.70; 440.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.20443e+01 | |||
| Coefficient B | -2.18561e+03 | |||
| Coefficient C | -1.45898e+02 | |||
| Reference | Kahlbaum, 1883 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 340.70 | |||
| Temperature range, max. | 440.00 | |||
| Pvap | 2.28 | kPa | 340.70 | Calculated Property |
| Pvap | 4.16 | kPa | 351.73 | Calculated Property |
| Pvap | 7.14 | kPa | 362.77 | Calculated Property |
| Pvap | 11.64 | kPa | 373.80 | Calculated Property |
| Pvap | 18.12 | kPa | 384.83 | Calculated Property |
| Pvap | 27.13 | kPa | 395.87 | Calculated Property |
| Pvap | 39.27 | kPa | 406.90 | Calculated Property |
| Pvap | 55.15 | kPa | 417.93 | Calculated Property |
| Pvap | 75.43 | kPa | 428.97 | Calculated Property |
| Pvap | 100.77 | kPa | 440.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, anhydride.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental Determination and Modeling of the Phase Behavior of the CO2 + Propionic Anhydride Binary System at High Pressure
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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