- InChI
- InChI=1S/C9H16O2/c1-7-3-5-9(6-4-7)11-8(2)10/h7,9H,3-6H2,1-2H3
- InChI Key
- VJBFCCCTSQEGMH-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CC(=O)OC1CCC(C)CC1
- Molecular Weight1
- 156.22
- 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 | 0.4080 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | 1111.00 | NIST | |
| Tboil | 450.83 | K | Relay (1.0) Calculated Property |
| Tc | 662.55 | K | Relay (1.0) Calculated Property |
| Tfus | 214.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.35; 396.53] | J/mol×K | [478.62; 683.76] | 
|
| Cp,gas | 302.35 | J/mol×K | 478.62 | Joback Calculated Property |
| Cp,gas | 320.17 | J/mol×K | 512.81 | Joback Calculated Property |
| Cp,gas | 337.13 | J/mol×K | 547.00 | Joback Calculated Property |
| Cp,gas | 353.25 | J/mol×K | 581.19 | Joback Calculated Property |
| Cp,gas | 368.51 | J/mol×K | 615.38 | Joback Calculated Property |
| Cp,gas | 382.94 | J/mol×K | 649.57 | Joback Calculated Property |
| Cp,gas | 396.53 | J/mol×K | 683.76 | Joback Calculated Property |
| η | [0.0002563; 0.0053703] | Pa×s | [236.66; 478.62] |
|
| η | 0.0053703 | Pa×s | 236.66 | Joback Calculated Property |
| η | 0.0022361 | Pa×s | 276.99 | Joback Calculated Property |
| η | 0.0011633 | Pa×s | 317.31 | Joback Calculated Property |
| η | 0.0007013 | Pa×s | 357.64 | Joback Calculated Property |
| η | 0.0004685 | Pa×s | 397.97 | Joback Calculated Property |
| η | 0.0003370 | Pa×s | 438.29 | Joback Calculated Property |
| η | 0.0002563 | Pa×s | 478.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, cis-4-methylcyclohexyl ester.
Sources
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