- InChI
- InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3
- InChI Key
- YHASWHZGWUONAO-UHFFFAOYSA-N
- Formula
- C8H14O3
- SMILES
- CCCC(=O)OC(=O)CCC
- Molecular Weight1
- 158.19
- CAS
- 106-31-0
- Other Names
-
- Anhydrid kyseliny maselne
- Butanoic acid, 1,1'-anhydride
- Butanoic anhydride
- Butyranhydrid
- Butyric acid anhydride
- Butyric anhydride
- Butyryl oxide
- UN 2739
- n-Butanoic anhydride
- n-Butyric acid anhydride
- n-Butyric 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).
- 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 | 0.6063 | Relay (1.0) Calculated Property | |
| ΔfG° | -422.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.656 | Crippen Calculated Property | |
| McVol | 132.590 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| NFPA Health | 1 | KDB | |
| NFPA Safety | 1 | KDB | |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Tboil | [464.15; 471.40] | K |
|
| Tboil | 471.40 ± 0.60 | K | NIST |
| Tboil | 471.00 ± 0.50 | K | NIST |
| Tboil | 464.15 ± 2.50 | K | NIST |
| Tboil | 471.35 ± 0.50 | K | NIST |
| Tc | 635.61 | K | Relay (1.0) Calculated Property |
| Tfus | 198.15 ± 0.60 | K | NIST |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.10 | kJ/mol | 409.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 471.70 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.45; 429.18] | 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 | 2.83840e+01 | |||
| Coefficient B | 6.81040e-01 | |||
| Coefficient C | -2.98100e-04 | |||
| Coefficient D | 1.78600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 269.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 302.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 332.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 358.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 381.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 400.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 416.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 429.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0445712; 0.0003037] | Pa×s | [198.15; 473.63] |
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 | -1.16882e+01 | |||
| Coefficient B | 1.69963e+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. | 198.15 | |||
| Temperature range, max. | 473.63 | |||
| η | 0.0445712 | Pa×s | 198.15 | Calculated Property |
| η | 0.0141455 | Pa×s | 228.76 | Calculated Property |
| η | 0.0058861 | Pa×s | 259.37 | Calculated Property |
| η | 0.0029473 | Pa×s | 289.98 | Calculated Property |
| η | 0.0016842 | Pa×s | 320.58 | Calculated Property |
| η | 0.0010610 | Pa×s | 351.19 | Calculated Property |
| η | 0.0007198 | Pa×s | 381.80 | Calculated Property |
| η | 0.0005173 | Pa×s | 412.41 | Calculated Property |
| η | 0.0003891 | Pa×s | 443.02 | Calculated Property |
| η | 0.0003037 | Pa×s | 473.63 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [348.50; 499.92] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.64793e+01 | |||
| Coefficient B | -5.44987e+03 | |||
| Coefficient C | -1.19200e+01 | |||
| Temperature range, min. | 348.50 | |||
| Temperature range, max. | 499.92 | |||
| Pvap | 1.33 | kPa | 348.50 | Calculated Property |
| Pvap | 2.88 | kPa | 365.32 | Calculated Property |
| Pvap | 5.81 | kPa | 382.15 | Calculated Property |
| Pvap | 11.01 | kPa | 398.97 | Calculated Property |
| Pvap | 19.80 | kPa | 415.80 | Calculated Property |
| Pvap | 33.96 | kPa | 432.62 | Calculated Property |
| Pvap | 55.88 | kPa | 449.45 | Calculated Property |
| Pvap | 88.63 | kPa | 466.27 | Calculated Property |
| Pvap | 136.01 | kPa | 483.10 | Calculated Property |
| Pvap | 202.66 | kPa | 499.92 | Calculated Property |
| Pvap | [3.29e-08; 2723.02] | kPa | [199.85; 639.00] |
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 | 1.82855e+02 | |||
| Coefficient B | -1.39777e+04 | |||
| Coefficient C | -2.46850e+01 | |||
| Coefficient D | 1.56521e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 199.85 | |||
| Temperature range, max. | 639.00 | |||
| Pvap | 3.29e-08 | kPa | 199.85 | Calculated Property |
| Pvap | 1.92e-04 | kPa | 248.64 | Calculated Property |
| Pvap | 0.04 | kPa | 297.44 | Calculated Property |
| Pvap | 1.03 | kPa | 346.23 | Calculated Property |
| Pvap | 10.21 | kPa | 395.03 | Calculated Property |
| Pvap | 53.47 | kPa | 443.82 | Calculated Property |
| Pvap | 188.49 | kPa | 492.62 | Calculated Property |
| Pvap | 520.38 | kPa | 541.41 | Calculated Property |
| Pvap | 1240.28 | kPa | 590.21 | Calculated Property |
| Pvap | 2723.02 | kPa | 639.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, anhydride.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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