- InChI
- InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3
- InChI Key
- BTMVHUNTONAYDX-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCCCOC(=O)CC
- Molecular Weight1
- 130.18
- CAS
- 590-01-2
- Other Names
-
- BUTYL ESTER PROPIONIC ACID
- BUTYL PROPIONATE
- Butyl ester of propanoic acid
- Butyl propanoate
- N-BUTYL PROPANOATE
- NSC 8449
- Propionic acid, butyl ester
- UN 1914
- n-Butyl n-propionate
- n-Butyl propionate
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- Inp : Non-polar retention indices.
- I : 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 | 0.4924 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4200.30 | kJ/mol | NIST |
| ΔfG° | -225.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.10 ± 0.04 | kJ/mol | NIST |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.740 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Inp | [851.00; 920.00] |
|
|
| Inp | 891.40 | NIST | |
| Inp | 880.42 | NIST | |
| Inp | 901.48 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 901.00 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | Outlier 855.00 | NIST | |
| Inp | Outlier 859.00 | NIST | |
| Inp | Outlier 851.00 | NIST | |
| Inp | 886.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 896.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | Outlier 851.00 | NIST | |
| Inp | Outlier 853.00 | NIST | |
| Inp | 894.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 886.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 886.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 873.60 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 889.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 889.00 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 886.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 889.00 | NIST | |
| Inp | 886.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 889.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 894.00 | NIST | |
| I | [1120.00; 1178.00] |
|
|
| I | 1159.00 | NIST | |
| I | 1145.00 | NIST | |
| I | Outlier 1178.00 | NIST | |
| I | 1139.00 | NIST | |
| I | 1138.00 | NIST | |
| I | 1137.00 | NIST | |
| I | 1151.00 | NIST | |
| I | 1143.00 | NIST | |
| I | 1135.00 | NIST | |
| I | 1129.00 | NIST | |
| I | 1120.00 | NIST | |
| I | 1132.00 | NIST | |
| I | 1138.00 | NIST | |
| I | 1129.00 | NIST | |
| I | 1139.00 | NIST | |
| I | 1130.00 | NIST | |
| I | 1145.00 | NIST | |
| I | 1130.00 | NIST | |
| I | 1123.00 | NIST | |
| I | 1127.00 | NIST | |
| I | 1127.00 | NIST | |
| I | 1153.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1143.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1130.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1157.00 | NIST | |
| I | 1159.00 | NIST | |
| I | 1137.00 | NIST | |
| I | 1123.00 | NIST | |
| I | 1148.00 | NIST | |
| I | 1157.00 | NIST | |
| Tboil | [418.07; 419.65] | K |
|
| Tboil | 419.65 | K | KDB |
| Tboil | 418.35 | K | Vapour-liquid equilibrium measurements and extractive distillation process design for separation of azeotropic mixture (dimethyl carbonate + ethanol) |
| Tboil | 418.25 | K | Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Binary Systems of Allyl Alcohol with Isobutyl Acetate, Butyl Acetate, and Butyl Propionate at 101.3 kPa |
| Tboil | 418.07 | K | Vapor-Liquid Equilibria at 101.32 kPa and Excess Properties of Binary Mixtures of Butyl Esters + tert-Butyl Alcohol |
| Tc | 594.60 ± 1.00 | K | NIST |
| Tfus | 190.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.450 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 418.20 | K | 101.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [312.51; 444.89] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49918e+01 | |||
| Coefficient B | -3.75077e+03 | |||
| Coefficient C | -5.74260e+01 | |||
| Temperature range, min. | 312.51 | |||
| Temperature range, max. | 444.89 | |||
| Pvap | 1.33 | kPa | 312.51 | Calculated Property |
| Pvap | 2.97 | kPa | 327.22 | Calculated Property |
| Pvap | 6.10 | kPa | 341.93 | Calculated Property |
| Pvap | 11.66 | kPa | 356.64 | Calculated Property |
| Pvap | 20.98 | kPa | 371.35 | Calculated Property |
| Pvap | 35.82 | kPa | 386.05 | Calculated Property |
| Pvap | 58.40 | kPa | 400.76 | Calculated Property |
| Pvap | 91.48 | kPa | 415.47 | Calculated Property |
| Pvap | 138.31 | kPa | 430.18 | Calculated Property |
| Pvap | 202.65 | kPa | 444.89 | Calculated Property |
| Pvap | [1.44e-06; 2664.42] | kPa | [183.63; 594.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.38703e+01 | |||
| Coefficient B | -8.04380e+03 | |||
| Coefficient C | -8.36634e+00 | |||
| Coefficient D | 2.81720e-06 | |||
| Temperature range, min. | 183.63 | |||
| Temperature range, max. | 594.00 | |||
| Pvap | 1.44e-06 | kPa | 183.63 | Calculated Property |
| Pvap | 1.44e-03 | kPa | 229.23 | Calculated Property |
| Pvap | 0.11 | kPa | 274.82 | Calculated Property |
| Pvap | 2.19 | kPa | 320.42 | Calculated Property |
| Pvap | 17.94 | kPa | 366.02 | Calculated Property |
| Pvap | 84.72 | kPa | 411.61 | Calculated Property |
| Pvap | 276.15 | kPa | 457.21 | Calculated Property |
| Pvap | 695.31 | kPa | 502.81 | Calculated Property |
| Pvap | 1455.75 | kPa | 548.40 | Calculated Property |
| Pvap | 2664.42 | kPa | 594.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, butyl ester.
Mixtures
- Propanoic acid, butyl ester + 1-Propanol, 2-methyl-
- Propanoic acid, butyl ester + Isobutyl acetate
- Propanoic acid, butyl ester + Isobutyl acetate + 1-Propanol, 2-methyl-
- Propanoic acid, butyl ester + Heptane
- Propanoic acid, butyl ester + Nonane
- Undecane + Propanoic acid, butyl ester
- Propanoic acid, butyl ester + Tridecane
- Propanoic acid, butyl ester + Pentadecane
- Heptadecane + Propanoic acid, butyl ester
- Propanoic acid, butyl ester + Ethane, 1,2-dichloro-
- Propanoic acid, butyl ester + Propane, 1,3-dichloro-
- Propanoic acid, butyl ester + Butane, 1,4-dichloro-
- Propanoic acid, butyl ester + Pentane, 1,5-dichloro-
- Propanoic acid, butyl ester + Hexane, 1,6-dichloro-
- Propanoic acid, butyl ester + Carbonic acid, dimethyl ester
- Propanoic acid, butyl ester + 2-Propen-1-ol
- 2-Propanol, 2-methyl- + Propanoic acid, butyl ester
- Propanoic acid, butyl ester + Di-n-propyl ether
- 1-Propanol + Propanoic acid, butyl ester
- 1-Propanol + Propanoic acid, butyl ester + Di-n-propyl ether
Find more mixtures with Propanoic acid, butyl ester.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor liquid equilibria in the ternary system isobutyl alcohol + isobutyl acetate + butyl propionate and the binary systems isobutyl alcohol + butyl propionate, isobutyl acetate + butyl propionate at 101.3 kPa
- Liquid-liquid equilibrium determination and thermodynamics modeling for extraction of isopropanol from its aqueous solution
- Liquid-liquid equilibrium and critical states for the quaternary system propionic acid-n-butanol-n-butyl propionate-water at 303.15 K
- Thermodynamic properties of (an ester + and alkane). XVII. Experimental He and Ve values for (an alkyl propanoate + an alkane) at 318.15K
- Thermodynamic study of (alkyl esters + a,x-alkyl dihalides)III. HE m and V E m for 20 binary mixtures {xCu-1H2u-1CO2C4H9 + (1 - x)a,x-ClCH2(CH2)v-2CH2Cl}, where u = 1 to 4, a = 1 and v = x = 2 to 6
- Thermodynamic study of (alkyl esters + alpha,beta-alkyl dihalides) VI.H and V for 20 binary mixtures {xCu-1H2u-1CO2(CH2)3CH3 + (1 - x)alpha,omega-BrCH2(CH2)v-2CH2Br}, where u = 1 to 5, alpha = 1, and v = omega = 2 to 6
- Vapour-liquid equilibrium measurements and extractive distillation process design for separation of azeotropic mixture (dimethyl carbonate + ethanol)
- Measurement and Correlation of Isobaric Vapor-Liquid Equilibrium for Binary Systems of Allyl Alcohol with Isobutyl Acetate, Butyl Acetate, and Butyl Propionate at 101.3 kPa
- Liquid-Liquid Equilibria for Ternary Mixtures of Water + Ethanol with 1-Hexanol, Butyl Propionate, or Ethyl Caproate
- Vapor-Liquid Equilibria at 101.32 kPa and Excess Properties of Binary Mixtures of Butyl Esters + tert-Butyl Alcohol
- Isobaric Vapor-Liquid Equilibria for Binary and Ternary Mixtures of Dipropyl Ether, 1-Propyl Alcohol, and Butyl Propionate
- sobaric Vapor-Liquid Equilibria for Binary and Ternary Mixtures of Diisopropyl Ether, 2-Propyl Alcohol, and n-Butyl Propionate at 101.3 kPa
- Isobaric Vapor-Liquid Equilibria for Binary and Ternary Mixtures of Ethanol and 2-Propanol with 2-Butanone and Butyl Propionate at 101.3 kPa
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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