- InChI
- InChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3
- InChI Key
- DIQMPQMYFZXDAX-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CCCCCOC=O
- Molecular Weight1
- 116.16
- CAS
- 638-49-3
- Other Names
-
- 1-pentyl formate
- 3-PENTANOL FORMATE
- Amyl formate
- N-AMYL FORMATE
- PENTYL FORMATE
- UN 1109
- formic acid, amyl ester
- methanoic acid, pentyl ester
- n-Pentyl formate
- n-Pentyl methanoate
- pentyl methanoate
- 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).
- 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).
- ρc : Critical density (kg/m3).
- 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 |
|---|---|---|---|
| ω | 0.5380 | KDB | |
| ΔfG° | -204.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.08 | kJ/mol | Joback Calculated Property |
| log10WS | -1.20 | Crippen Calculated Property | |
| logPoct/wat | 1.350 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 3 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | [3457.00; 3460.00] | kPa |
|
| Pc | 3460.00 | kPa | KDB |
| Pc | 3457.00 ± 303.98 | kPa | NIST |
| ρc | 282.26 ± 4.65 | kg/m3 | NIST |
| Inp | [765.00; 827.00] |
|
|
| Inp | 784.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | Outlier 765.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 781.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 827.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 772.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 827.00 | NIST | |
| I | [1187.00; 1187.00] |
|
|
| I | 1187.00 | NIST | |
| I | 1187.00 | NIST | |
| Tboil | [380.00; 405.50] | K |
|
| Tboil | 403.60 | K | KDB |
| Tboil | 405.12 | K | Vapor L... |
| Tboil | Outlier 380.00 ± 2.00 | K | NIST |
| Tboil | 405.50 ± 1.00 | K | NIST |
| Tboil | 405.00 ± 1.50 | K | NIST |
| Tboil | 393.15 ± 1.00 | K | NIST |
| Tboil | 405.25 ± 1.00 | K | NIST |
| Tboil | 395.70 ± 1.00 | K | NIST |
| Tboil | 403.60 ± 1.50 | K | NIST |
| Tc | [575.80; 576.00] | K |
|
| Tc | 576.00 | K | KDB |
| Tc | 575.80 ± 4.00 | K | NIST |
| Tfus | 199.60 | K | KDB |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.68; 254.37] | J/mol×K | [407.76; 580.45] |
|
| Cp,gas | 201.68 | J/mol×K | 407.76 | Joback Calculated Property |
| Cp,gas | 211.20 | J/mol×K | 436.54 | Joback Calculated Property |
| Cp,gas | 220.43 | J/mol×K | 465.32 | Joback Calculated Property |
| Cp,gas | 229.36 | J/mol×K | 494.10 | Joback Calculated Property |
| Cp,gas | 238.00 | J/mol×K | 522.88 | Joback Calculated Property |
| Cp,gas | 246.33 | J/mol×K | 551.66 | Joback Calculated Property |
| Cp,gas | 254.37 | J/mol×K | 580.45 | Joback Calculated Property |
| η | [0.0002910; 0.0033772] | Pa×s | [221.61; 407.76] |
|
| η | 0.0033772 | Pa×s | 221.61 | Joback Calculated Property |
| η | 0.0017464 | Pa×s | 252.64 | Joback Calculated Property |
| η | 0.0010432 | Pa×s | 283.66 | Joback Calculated Property |
| η | 0.0006898 | Pa×s | 314.69 | Joback Calculated Property |
| η | 0.0004913 | Pa×s | 345.71 | Joback Calculated Property |
| η | 0.0003700 | Pa×s | 376.74 | Joback Calculated Property |
| η | 0.0002910 | Pa×s | 407.76 | Joback Calculated Property |
| Pvap | [0.23; 101.30] | kPa | [274.20; 405.12] |
|
| Pvap | 0.23 | kPa | 274.20 | Vapour ... |
| Pvap | 0.23 | kPa | 274.30 | Vapour ... |
| Pvap | 0.25 | kPa | 275.70 | Vapour ... |
| Pvap | 0.30 | kPa | 278.30 | Vapour ... |
| Pvap | 0.30 | kPa | 278.30 | Vapour ... |
| Pvap | 0.37 | kPa | 281.00 | Vapour ... |
| Pvap | 0.37 | kPa | 281.00 | Vapour ... |
| Pvap | 0.43 | kPa | 283.20 | Vapour ... |
| Pvap | 0.61 | kPa | 288.20 | Vapour ... |
| Pvap | 0.85 | kPa | 293.30 | Vapour ... |
| Pvap | 1.16 | kPa | 298.40 | Vapour ... |
| Pvap | 1.57 | kPa | 303.30 | Vapour ... |
| Pvap | 1.78 | kPa | 305.60 | Vapour ... |
| Pvap | 2.05 | kPa | 308.00 | Vapour ... |
| Pvap | 2.37 | kPa | 310.70 | Vapour ... |
| Pvap | 2.76 | kPa | 313.30 | Vapour ... |
| Pvap | 33.67 | kPa | 370.04 | Vapor L... |
| Pvap | 39.15 | kPa | 374.41 | Vapor L... |
| Pvap | 44.06 | kPa | 377.87 | Vapor L... |
| Pvap | 49.42 | kPa | 381.35 | Vapor L... |
| Pvap | 55.79 | kPa | 385.08 | Vapor L... |
| Pvap | 60.00 | kPa | 387.40 | Vapor L... |
| Pvap | 60.00 | kPa | 387.46 | Vapor L... |
| Pvap | 60.50 | kPa | 387.67 | Vapor L... |
| Pvap | 68.46 | kPa | 391.65 | Vapor L... |
| Pvap | 73.50 | kPa | 394.01 | Vapor L... |
| Pvap | 80.16 | kPa | 396.89 | Vapor L... |
| Pvap | 86.56 | kPa | 399.55 | Vapor L... |
| Pvap | 93.45 | kPa | 402.19 | Vapor L... |
| Pvap | 101.30 | kPa | 405.12 | Vapor L... |
| ρl | 902.00 | kg/m3 | 273.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [306.28; 419.26] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.65215e+01 | |||
| Coefficient B | -4.09248e+03 | |||
| Coefficient C | -5.41850e+01 | |||
| Temperature range, min. | 306.28 | |||
| Temperature range, max. | 419.26 | |||
| Pvap | 1.33 | kPa | 306.28 | Calculated Property |
| Pvap | 2.88 | kPa | 318.83 | Calculated Property |
| Pvap | 5.80 | kPa | 331.39 | Calculated Property |
| Pvap | 11.00 | kPa | 343.94 | Calculated Property |
| Pvap | 19.77 | kPa | 356.49 | Calculated Property |
| Pvap | 33.91 | kPa | 369.05 | Calculated Property |
| Pvap | 55.82 | kPa | 381.60 | Calculated Property |
| Pvap | 88.56 | kPa | 394.15 | Calculated Property |
| Pvap | 135.95 | kPa | 406.71 | Calculated Property |
| Pvap | 202.66 | kPa | 419.26 | Calculated Property |
| Pvap | [2.66e-05; 2993.98] | kPa | [199.65; 576.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.89999e+01 | |||
| Coefficient B | -9.05957e+03 | |||
| Coefficient C | -1.21588e+01 | |||
| Coefficient D | 6.07490e-06 | |||
| Temperature range, min. | 199.65 | |||
| Temperature range, max. | 576.00 | |||
| Pvap | 2.66e-05 | kPa | 199.65 | Calculated Property |
| Pvap | 7.62e-03 | kPa | 241.47 | Calculated Property |
| Pvap | 0.32 | kPa | 283.28 | Calculated Property |
| Pvap | 4.25 | kPa | 325.10 | Calculated Property |
| Pvap | 27.86 | kPa | 366.92 | Calculated Property |
| Pvap | 114.23 | kPa | 408.73 | Calculated Property |
| Pvap | 340.13 | kPa | 450.55 | Calculated Property |
| Pvap | 810.34 | kPa | 492.37 | Calculated Property |
| Pvap | 1648.27 | kPa | 534.18 | Calculated Property |
| Pvap | 2993.98 | kPa | 576.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, pentyl ester.
Mixtures
- Formic acid, pentyl ester + Octane
- Formic acid, pentyl ester + Ethane, 1,2-dichloro-
- Formic acid, pentyl ester + Propane, 1,3-dichloro-
- Formic acid, pentyl ester + Butane, 1,4-dichloro-
- Formic acid, pentyl ester + Pentane, 1,5-dichloro-
- Formic acid, pentyl ester + Hexane, 1,6-dichloro-
- Carbon dioxide + Formic acid, pentyl ester
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of aliphatic esters
- 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
- Assessment, measurement and correlation of (vapour + liquid) equilibrium of (carbon dioxide + butyl, isobutyl, and amyl formate) systems
- Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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