- InChI
- InChI=1S/C7H14O2/c1-3-7(2)4-5-9-6-8/h6-7H,3-5H2,1-2H3
- InChI Key
- XVTXGTMFTKXDJM-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCC(C)CCOC=O
- Molecular Weight1
- 130.18
- 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).
- 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).
- 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 | 0.4599 | Relay (1.0) Calculated Property | |
| ΔfG° | -252.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Inp | 910.00 | NIST | |
| Tboil | 417.13 | K | Relay (1.0) Calculated Property |
| Tc | 600.25 | K | Relay (1.0) Calculated Property |
| Tfus | 186.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.49; 372.98] | 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 | -1.57000e-01 | |||
| Coefficient B | 7.23040e-01 | |||
| Coefficient C | -4.73000e-04 | |||
| Coefficient D | 1.23100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 164.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 234.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 263.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 288.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 310.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 329.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 346.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 360.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 372.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033247; 0.0003836] | Pa×s | [212.35; 413.38] |
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 | -1.01470e+01 | |||
| Coefficient B | 9.42970e+02 | |||
| 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. | 212.35 | |||
| Temperature range, max. | 413.38 | |||
| η | 0.0033247 | Pa×s | 212.35 | Calculated Property |
| η | 0.0021787 | Pa×s | 234.69 | Calculated Property |
| η | 0.0015365 | Pa×s | 257.02 | Calculated Property |
| η | 0.0011459 | Pa×s | 279.36 | Calculated Property |
| η | 0.0008925 | Pa×s | 301.70 | Calculated Property |
| η | 0.0007195 | Pa×s | 324.04 | Calculated Property |
| η | 0.0005964 | Pa×s | 346.37 | Calculated Property |
| η | 0.0005057 | Pa×s | 368.71 | Calculated Property |
| η | 0.0004370 | Pa×s | 391.05 | Calculated Property |
| η | 0.0003836 | Pa×s | 413.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 3-methylpentyl ester.
Sources
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