- InChI
- InChI=1S/C8H16O2/c1-3-5-6-8(4-2)10-7-9/h7-8H,3-6H2,1-2H3
- InChI Key
- RJJVYSJFEOFICB-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCCC(CC)OC=O
- Molecular Weight1
- 144.21
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-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 | 0.5108 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.66 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Inp | [982.00; 982.00] |
|
|
| Inp | 982.00 | NIST | |
| Inp | 982.00 | NIST | |
| Tboil | 424.23 | K | Relay (1.0) Calculated Property |
| Tc | 602.26 | K | Relay (1.0) Calculated Property |
| Tfus | 203.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.70; 424.57] | 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 | -1.06600e+00 | |||
| Coefficient B | 8.18040e-01 | |||
| Coefficient C | -5.27400e-04 | |||
| Coefficient D | 1.35000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 265.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 298.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 327.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 352.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 374.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 393.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 424.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036765; 0.0004000] | Pa×s | [223.62; 428.65] |
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 | -1.02437e+01 | |||
| Coefficient B | 1.03713e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 223.62 | |||
| Temperature range, max. | 428.65 | |||
| η | 0.0036765 | Pa×s | 223.62 | Calculated Property |
| η | 0.0023945 | Pa×s | 246.40 | Calculated Property |
| η | 0.0016769 | Pa×s | 269.18 | Calculated Property |
| η | 0.0012415 | Pa×s | 291.96 | Calculated Property |
| η | 0.0009600 | Pa×s | 314.74 | Calculated Property |
| η | 0.0007686 | Pa×s | 337.52 | Calculated Property |
| η | 0.0006329 | Pa×s | 360.30 | Calculated Property |
| η | 0.0005333 | Pa×s | 383.08 | Calculated Property |
| η | 0.0004581 | Pa×s | 405.87 | Calculated Property |
| η | 0.0004000 | Pa×s | 428.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, hept-3-yl ester.
Sources
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