- InChI
- InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
- InChI Key
- NMJJFJNHVMGPGM-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CCCCOC=O
- Molecular Weight1
- 102.13
- CAS
- 592-84-7
- Other Names
-
- BUTYL ESTER FORMIC ACID
- Butyl formate
- Butyl methanoate
- Butylester kyseliny mravenci
- HCOO(CH2)3CH3
- UN 1128
- butyl acetate
- methanoic acid, butyl ester
- n-Butyl formate
- n-Butyl methanoate
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| PAff | 806.00 | kJ/mol | NIST |
| BasG | 775.00 | kJ/mol | NIST |
| ΔfG° | -213.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [37.10; 41.30] | kJ/mol |
|
| ΔvapH° | 41.16 | kJ/mol | NIST |
| ΔvapH° | 40.10 | kJ/mol | NIST |
| ΔvapH° | 41.30 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 37.10 ± 0.04 | kJ/mol | NIST |
| IE | [10.50; 10.54] | eV |
|
| IE | 10.52 ± 0.02 | eV | NIST |
| IE | 10.52 ± 0.05 | eV | NIST |
| IE | 10.54 | eV | NIST |
| IE | 10.50 ± 0.02 | eV | NIST |
| IE | 10.52 | eV | NIST |
| log10WS | [-1.37; -1.37] |
|
|
| log10WS | -1.37 | Aq. Sol... | |
| log10WS | -1.37 | Estimat... | |
| logPoct/wat | 0.959 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 2 | KDB | |
| Pc | 3713.49 | kPa | Joback Calculated Property |
| Inp | [680.00; 737.00] |
|
|
| Inp | 684.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 737.00 | NIST | |
| Inp | 707.00 | NIST | |
| I | [996.00; 1033.00] |
|
|
| I | 1010.00 | NIST | |
| I | 996.00 | NIST | |
| I | 1033.00 | NIST | |
| I | 996.00 | NIST | |
| I | 1020.00 | NIST | |
| I | 996.00 | NIST | |
| Tboil | [378.75; 443.00] | K |
|
| Tboil | 380.13 | K | Solutio... |
| Tboil | 379.33 | K | Vapor-L... |
| Tboil | 380.13 | K | Isobari... |
| Tboil | 380.00 | K | NIST |
| Tboil | 379.30 | K | NIST |
| Tboil | 379.75 ± 0.30 | K | NIST |
| Tboil | 379.75 ± 0.30 | K | NIST |
| Tboil | Outlier 443.00 ± 2.00 | K | NIST |
| Tboil | 379.95 ± 0.50 | K | NIST |
| Tboil | 379.80 ± 0.60 | K | NIST |
| Tboil | 379.80 ± 0.50 | K | NIST |
| Tboil | 379.85 ± 1.00 | K | NIST |
| Tboil | 378.75 ± 1.00 | K | NIST |
| Tboil | 380.00 ± 0.20 | K | NIST |
| Tboil | 380.10 ± 1.50 | K | NIST |
| Tc | 565.20 | K | NIST |
| Tfus | [181.40; 183.20] | K |
|
| Tfus | 181.40 | K | Aq. Sol... |
| Tfus | 183.15 ± 1.50 | K | NIST |
| Tfus | 183.20 ± 0.40 | K | NIST |
| Vc | 0.350 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.62; 210.97] | J/mol×K | [384.88; 558.32] |
|
| Cp,gas | 165.62 | J/mol×K | 384.88 | Joback Calculated Property |
| Cp,gas | 173.77 | J/mol×K | 413.79 | Joback Calculated Property |
| Cp,gas | 181.68 | J/mol×K | 442.69 | Joback Calculated Property |
| Cp,gas | 189.36 | J/mol×K | 471.60 | Joback Calculated Property |
| Cp,gas | 196.81 | J/mol×K | 500.50 | Joback Calculated Property |
| Cp,gas | 204.01 | J/mol×K | 529.41 | Joback Calculated Property |
| Cp,gas | 210.97 | J/mol×K | 558.32 | Joback Calculated Property |
| Cp,liquid | 200.25 | J/mol×K | 298.15 | NIST |
| η | [0.0002907; 0.0030878] | Pa×s | [210.34; 384.88] |
|
| η | 0.0030878 | Pa×s | 210.34 | Joback Calculated Property |
| η | 0.0016395 | Pa×s | 239.43 | Joback Calculated Property |
| η | 0.0009985 | Pa×s | 268.52 | Joback Calculated Property |
| η | 0.0006700 | Pa×s | 297.61 | Joback Calculated Property |
| η | 0.0004827 | Pa×s | 326.70 | Joback Calculated Property |
| η | 0.0003669 | Pa×s | 355.79 | Joback Calculated Property |
| η | 0.0002907 | Pa×s | 384.88 | Joback Calculated Property |
| ΔvapH | [36.58; 40.10] | kJ/mol | [313.00; 379.30] |
|
| ΔvapH | 40.10 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 39.00 ± 0.10 | kJ/mol | 328.00 | NIST |
| ΔvapH | 37.90 | kJ/mol | 337.50 | NIST |
| ΔvapH | 38.70 ± 0.10 | kJ/mol | 346.00 | NIST |
| ΔvapH | 38.10 ± 0.10 | kJ/mol | 355.00 | NIST |
| ΔvapH | 37.30 ± 0.10 | kJ/mol | 363.00 | NIST |
| ΔvapH | 36.58 | kJ/mol | 379.30 | NIST |
| Pvap | [7.98; 164.08] | kPa | [313.16; 395.48] |
|
| Pvap | 7.98 | kPa | 313.16 | Vapor-L... |
| Pvap | 10.19 | kPa | 318.33 | Vapor-L... |
| Pvap | 12.79 | kPa | 323.32 | Vapor-L... |
| Pvap | 16.08 | kPa | 328.57 | Vapor-L... |
| Pvap | 19.50 | kPa | 333.14 | Vapor-L... |
| Pvap | 19.50 | kPa | 333.15 | Vapor-L... |
| Pvap | 29.10 | kPa | 343.14 | Vapor-L... |
| Pvap | 29.10 | kPa | 343.15 | Vapor-L... |
| Pvap | 39.80 | kPa | 351.93 | Vapor-L... |
| Pvap | 41.34 | kPa | 352.90 | Vapor-L... |
| Pvap | 42.24 | kPa | 353.14 | Vapor-L... |
| Pvap | 42.24 | kPa | 353.15 | Vapor-L... |
| Pvap | 42.56 | kPa | 353.61 | Vapor-L... |
| Pvap | 44.01 | kPa | 354.63 | Vapor-L... |
| Pvap | 45.40 | kPa | 355.48 | Vapor-L... |
| Pvap | 46.69 | kPa | 356.16 | Vapor-L... |
| Pvap | 48.04 | kPa | 357.06 | Vapor-L... |
| Pvap | 49.58 | kPa | 357.83 | Vapor-L... |
| Pvap | 50.55 | kPa | 358.51 | Vapor-L... |
| Pvap | 51.34 | kPa | 358.67 | Vapor-L... |
| Pvap | 52.07 | kPa | 359.21 | Vapor-L... |
| Pvap | 53.37 | kPa | 360.03 | Vapor-L... |
| Pvap | 54.63 | kPa | 360.58 | Vapor-L... |
| Pvap | 56.03 | kPa | 361.30 | Vapor-L... |
| Pvap | 57.30 | kPa | 362.07 | Vapor-L... |
| Pvap | 58.74 | kPa | 362.78 | Vapor-L... |
| Pvap | 60.03 | kPa | 363.41 | Vapor-L... |
| Pvap | 61.37 | kPa | 363.94 | Vapor-L... |
| Pvap | 62.61 | kPa | 364.53 | Vapor-L... |
| Pvap | 64.01 | kPa | 365.28 | Vapor-L... |
| Pvap | 65.43 | kPa | 365.82 | Vapor-L... |
| Pvap | 66.70 | kPa | 366.39 | Vapor-L... |
| Pvap | 67.81 | kPa | 366.97 | Vapor-L... |
| Pvap | 69.73 | kPa | 367.70 | Vapor-L... |
| Pvap | 70.69 | kPa | 368.21 | Vapor-L... |
| Pvap | 72.02 | kPa | 368.77 | Vapor-L... |
| Pvap | 73.27 | kPa | 369.20 | Vapor-L... |
| Pvap | 74.67 | kPa | 369.77 | Vapor-L... |
| Pvap | 76.02 | kPa | 370.39 | Vapor-L... |
| Pvap | 77.77 | kPa | 371.01 | Vapor-L... |
| Pvap | 78.69 | kPa | 371.35 | Vapor-L... |
| Pvap | 79.90 | kPa | 371.83 | Vapor-L... |
| Pvap | 81.22 | kPa | 372.32 | Vapor-L... |
| Pvap | 82.86 | kPa | 372.98 | Vapor-L... |
| Pvap | 83.42 | kPa | 373.23 | Vapor-L... |
| Pvap | 85.54 | kPa | 374.00 | Vapor-L... |
| Pvap | 86.83 | kPa | 374.46 | Vapor-L... |
| Pvap | 87.98 | kPa | 374.80 | Vapor-L... |
| Pvap | 89.51 | kPa | 375.42 | Vapor-L... |
| Pvap | 90.70 | kPa | 375.83 | Vapor-L... |
| Pvap | 91.92 | kPa | 376.18 | Vapor-L... |
| Pvap | 92.98 | kPa | 376.53 | Vapor-L... |
| Pvap | 94.84 | kPa | 377.23 | Vapor-L... |
| Pvap | 95.98 | kPa | 377.54 | Vapor-L... |
| Pvap | 97.12 | kPa | 377.91 | Vapor-L... |
| Pvap | 98.83 | kPa | 378.53 | Vapor-L... |
| Pvap | 100.02 | kPa | 378.91 | Vapor-L... |
| Pvap | 101.32 | kPa | 379.33 | Vapor-L... |
| Pvap | 102.50 | kPa | 379.63 | Vapor-L... |
| Pvap | 101.32 | kPa | 380.13 | Isobari... |
| Pvap | 104.07 | kPa | 380.17 | Vapor-L... |
| Pvap | 105.51 | kPa | 380.63 | Vapor-L... |
| Pvap | 106.83 | kPa | 381.03 | Vapor-L... |
| Pvap | 107.92 | kPa | 381.30 | Vapor-L... |
| Pvap | 109.24 | kPa | 381.70 | Vapor-L... |
| Pvap | 110.80 | kPa | 382.22 | Vapor-L... |
| Pvap | 112.00 | kPa | 382.51 | Vapor-L... |
| Pvap | 113.36 | kPa | 382.90 | Vapor-L... |
| Pvap | 114.60 | kPa | 383.32 | Vapor-L... |
| Pvap | 116.00 | kPa | 383.66 | Vapor-L... |
| Pvap | 117.36 | kPa | 384.03 | Vapor-L... |
| Pvap | 118.60 | kPa | 384.40 | Vapor-L... |
| Pvap | 120.01 | kPa | 384.83 | Vapor-L... |
| Pvap | 121.48 | kPa | 385.23 | Vapor-L... |
| Pvap | 122.69 | kPa | 385.51 | Vapor-L... |
| Pvap | 123.93 | kPa | 385.84 | Vapor-L... |
| Pvap | 125.48 | kPa | 386.31 | Vapor-L... |
| Pvap | 126.69 | kPa | 386.58 | Vapor-L... |
| Pvap | 128.01 | kPa | 386.93 | Vapor-L... |
| Pvap | 129.35 | kPa | 387.32 | Vapor-L... |
| Pvap | 130.79 | kPa | 387.69 | Vapor-L... |
| Pvap | 131.85 | kPa | 387.92 | Vapor-L... |
| Pvap | 133.41 | kPa | 388.37 | Vapor-L... |
| Pvap | 134.53 | kPa | 388.60 | Vapor-L... |
| Pvap | 136.15 | kPa | 389.06 | Vapor-L... |
| Pvap | 137.47 | kPa | 389.38 | Vapor-L... |
| Pvap | 138.88 | kPa | 389.73 | Vapor-L... |
| Pvap | 140.17 | kPa | 390.04 | Vapor-L... |
| Pvap | 141.21 | kPa | 390.26 | Vapor-L... |
| Pvap | 142.57 | kPa | 390.58 | Vapor-L... |
| Pvap | 143.71 | kPa | 390.85 | Vapor-L... |
| Pvap | 145.47 | kPa | 391.31 | Vapor-L... |
| Pvap | 146.81 | kPa | 391.62 | Vapor-L... |
| Pvap | 147.92 | kPa | 391.84 | Vapor-L... |
| Pvap | 149.45 | kPa | 392.24 | Vapor-L... |
| Pvap | 150.41 | kPa | 392.42 | Vapor-L... |
| Pvap | 152.16 | kPa | 392.86 | Vapor-L... |
| Pvap | 154.53 | kPa | 393.36 | Vapor-L... |
| Pvap | 156.14 | kPa | 393.76 | Vapor-L... |
| Pvap | 157.28 | kPa | 393.97 | Vapor-L... |
| Pvap | 158.68 | kPa | 394.32 | Vapor-L... |
| Pvap | 160.14 | kPa | 394.63 | Vapor-L... |
| Pvap | 161.36 | kPa | 394.90 | Vapor-L... |
| Pvap | 162.84 | kPa | 395.19 | Vapor-L... |
| Pvap | 164.08 | kPa | 395.48 | Vapor-L... |
| n0 | [1.38700; 1.38870] | [293.15; 298.15] |
|
|
| n0 | 1.38870 | 293.15 | Isobari... | |
| n0 | 1.38700 | 298.15 | Thermod... | |
| ρl | [888.47; 895.86] | kg/m3 | [291.15; 298.15] |
|
| ρl | 895.86 | kg/m3 | 291.15 | Experim... |
| ρl | 888.47 | kg/m3 | 298.15 | Experim... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [277.55; 404.60] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49116e+01 | |||
| Coefficient B | -3.55041e+03 | |||
| Coefficient C | -3.47740e+01 | |||
| Temperature range, min. | 277.55 | |||
| Temperature range, max. | 404.60 | |||
| Pvap | 1.33 | kPa | 277.55 | Calculated Property |
| Pvap | 2.98 | kPa | 291.67 | Calculated Property |
| Pvap | 6.12 | kPa | 305.78 | Calculated Property |
| Pvap | 11.70 | kPa | 319.90 | Calculated Property |
| Pvap | 21.05 | kPa | 334.02 | Calculated Property |
| Pvap | 35.93 | kPa | 348.13 | Calculated Property |
| Pvap | 58.55 | kPa | 362.25 | Calculated Property |
| Pvap | 91.64 | kPa | 376.37 | Calculated Property |
| Pvap | 138.43 | kPa | 390.48 | Calculated Property |
| Pvap | 202.63 | kPa | 404.60 | Calculated Property |
| Pvap | [8.65e-05; 3505.34] | kPa | [181.25; 559.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.40515e+01 | |||
| Coefficient B | -5.85877e+03 | |||
| Coefficient C | -4.05995e+00 | |||
| Coefficient D | 8.80582e-07 | |||
| Temperature range, min. | 181.25 | |||
| Temperature range, max. | 559.00 | |||
| Pvap | 8.65e-05 | kPa | 181.25 | Calculated Property |
| Pvap | 0.02 | kPa | 223.22 | Calculated Property |
| Pvap | 0.53 | kPa | 265.19 | Calculated Property |
| Pvap | 6.10 | kPa | 307.17 | Calculated Property |
| Pvap | 36.79 | kPa | 349.14 | Calculated Property |
| Pvap | 144.40 | kPa | 391.11 | Calculated Property |
| Pvap | 420.30 | kPa | 433.08 | Calculated Property |
| Pvap | 986.56 | kPa | 475.06 | Calculated Property |
| Pvap | 1975.02 | kPa | 517.03 | Calculated Property |
| Pvap | 3505.34 | kPa | 559.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, butyl ester.
Mixtures
- Formic acid, butyl ester + Pentane
- Formic acid, butyl ester + Heptane
- Formic acid, butyl ester + Octane
- Formic acid, butyl ester + Nonane
- Formic acid, butyl ester + Ethane, 1,2-dichloro-
- Formic acid, butyl ester + Propane, 1,3-dichloro-
- Formic acid, butyl ester + Butane, 1,4-dichloro-
- Formic acid, butyl ester + Pentane, 1,5-dichloro-
- Formic acid, butyl ester + Hexane, 1,6-dichloro-
- Formic acid, butyl ester + Acetic acid, mercapto-
- Formic acid, butyl ester + Ethanol, 2-ethoxy-
- 2-Propanol, 2-methyl- + Formic acid, butyl ester
- n-Hexane + Formic acid, butyl ester
- Formic acid, butyl ester + Decane
- Formic acid, butyl ester + Ethane, 1,2-dibromo-
- Formic acid, butyl ester + Propane, 1,3-dibromo-
- Formic acid, butyl ester + Butane, 1,4-dibromo-
- Formic acid, butyl ester + Pentane, 1,5-dibromo-
- Formic acid, butyl ester + Hexane, 1,6-dibromo-
- Formic acid, butyl ester + Carbon dioxide
Find more mixtures with Formic acid, butyl ester.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Excess properties and isobaric vapor liquid equilibria for four binary systems of alkyl (methyl to butyl) methanoates with decane
- Experimentation and thermodynamic representations of binaries containing compounds of low boiling points: Pentane and alkylmethanoates
- Solutions of alkyl methanoates and alkanes: Simultaneous modeling of phase equilibria and mixing properties. Estimation of behavior by UNIFAC with recalculation of parameters
- 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 + a,x-alkyl dihalides) V. Hex and Vex for 25 binary mixtures {xCu-1H2u-1CO2CH3 + (1-x)a,x-ClCH2(CH2)v-2CH2Cl}, where u = 1 to 5, 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
- Assessment, measurement and correlation of (vapour + liquid) equilibrium of (carbon dioxide + butyl, isobutyl, and amyl formate) systems
- Isobaric Vapor Liquid Equilibrium for Binary Systems of Thioglycolic Acid with Water, Butyl Acetate, Butyl Formate, and Isobutyl Acetate at 101.3 kPa
- Vapor-Liquid Equilibrium for Phenol + r-Methyl Benzyl Alcohol and 2-Ethoxyethanol + n-Butyl Formate
- Vapor-Liquid Equilibria at 101.32 kPa and Excess Properties of Binary Mixtures of Butyl Esters + tert-Butyl Alcohol
- Isobaric Vapor-Liquid Equilibrium Data and Excess Properties of Binary Systems Comprised of Alkyl Methanoates + Hexane
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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