- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.96; 287.23] | J/mol×K | [416.84; 590.55] | 
|
| Cp,gas | 227.96 | J/mol×K | 416.84 | Joback Calculated Property |
| Cp,gas | 239.07 | J/mol×K | 445.79 | Joback Calculated Property |
| Cp,gas | 249.67 | J/mol×K | 474.74 | Joback Calculated Property |
| Cp,gas | 259.76 | J/mol×K | 503.69 | Joback Calculated Property |
| Cp,gas | 269.37 | J/mol×K | 532.65 | Joback Calculated Property |
| Cp,gas | 278.52 | J/mol×K | 561.60 | Joback Calculated Property |
| Cp,gas | 287.23 | J/mol×K | 590.55 | Joback Calculated Property |
| η | [0.0003764; 0.0033247] | Pa×s | [212.35; 416.84] |
|
| η | 0.0033247 | Pa×s | 212.35 | Joback Calculated Property |
| η | 0.0017990 | Pa×s | 246.43 | Joback Calculated Property |
| η | 0.0011301 | Pa×s | 280.51 | Joback Calculated Property |
| η | 0.0007852 | Pa×s | 314.60 | Joback Calculated Property |
| η | 0.0005858 | Pa×s | 348.68 | Joback Calculated Property |
| η | 0.0004604 | Pa×s | 382.76 | Joback Calculated Property |
| η | 0.0003764 | Pa×s | 416.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 3-methylpentyl ester.
Sources
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