- InChI
- InChI=1S/C9H18O2/c1-4-5-6-7-8(2)9(10)11-3/h8H,4-7H2,1-3H3
- InChI Key
- FUZYFWJHBYRPIP-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCCC(C)C(=O)OC
- Molecular Weight1
- 158.24
- Other Names
-
- Methyl 2-methylheptanoate
- Methyl ester of 2-methylheptanoic acid
- 2-Methylheptanoic acid, methyl ester
- 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 | 0.5119 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.376 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2336.03 | kPa | Joback Calculated Property |
| Inp | [1067.00; 1067.00] |
|
|
| Inp | 1067.00 | NIST | |
| Inp | 1067.00 | NIST | |
| Tboil | 425.82 | K | Relay (1.0) Calculated Property |
| Tc | 629.07 | K | Relay (1.0) Calculated Property |
| Tfus | 215.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.13; 392.55] | J/mol×K | [463.30; 637.50] |
|
| Cp,gas | 317.13 | J/mol×K | 463.30 | Joback Calculated Property |
| Cp,gas | 331.02 | J/mol×K | 492.33 | Joback Calculated Property |
| Cp,gas | 344.38 | J/mol×K | 521.37 | Joback Calculated Property |
| Cp,gas | 357.20 | J/mol×K | 550.40 | Joback Calculated Property |
| Cp,gas | 369.50 | J/mol×K | 579.43 | Joback Calculated Property |
| Cp,gas | 381.28 | J/mol×K | 608.47 | Joback Calculated Property |
| Cp,gas | 392.55 | J/mol×K | 637.50 | Joback Calculated Property |
| η | [0.0002144; 0.0099060] | Pa×s | [218.52; 463.30] |
|
| η | 0.0099060 | Pa×s | 218.52 | Joback Calculated Property |
| η | 0.0031636 | Pa×s | 259.32 | Joback Calculated Property |
| η | 0.0013780 | Pa×s | 300.11 | Joback Calculated Property |
| η | 0.0007323 | Pa×s | 340.91 | Joback Calculated Property |
| η | 0.0004455 | Pa×s | 381.71 | Joback Calculated Property |
| η | 0.0002983 | Pa×s | 422.50 | Joback Calculated Property |
| η | 0.0002144 | Pa×s | 463.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanoic acid, 2-methyl-, methyl ester.
Sources
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