- InChI
- InChI=1S/C14H18O4/c1-3-10(4-2)9-18-14(17)12-8-6-5-7-11(12)13(15)16/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
- InChI Key
- XSLWVQWUWZGQNV-UHFFFAOYSA-N
- Formula
- C14H18O4
- SMILES
- CCC(CC)COC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 250.29
- CAS
- 91401-46-6
- 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 | 0.8939 | Relay (1.0) Calculated Property | |
| ΔfG° | -332.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.978 | Crippen Calculated Property | |
| McVol | 199.240 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | 1977.00 | NIST | |
| Tboil | 601.15 | K | Relay (1.0) Calculated Property |
| Tc | 831.57 | K | Relay (1.0) Calculated Property |
| Tfus | 322.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.700 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.11; 630.02] | J/mol×K | [773.28; 974.61] | 
|
| Cp,gas | 569.11 | J/mol×K | 773.28 | Joback Calculated Property |
| Cp,gas | 581.23 | J/mol×K | 806.83 | Joback Calculated Property |
| Cp,gas | 592.54 | J/mol×K | 840.39 | Joback Calculated Property |
| Cp,gas | 603.06 | J/mol×K | 873.94 | Joback Calculated Property |
| Cp,gas | 612.79 | J/mol×K | 907.50 | Joback Calculated Property |
| Cp,gas | 621.77 | J/mol×K | 941.05 | Joback Calculated Property |
| Cp,gas | 630.02 | J/mol×K | 974.61 | Joback Calculated Property |
| η | [0.0000274; 0.0010185] | Pa×s | [454.39; 773.28] |
|
| η | 0.0010185 | Pa×s | 454.39 | Joback Calculated Property |
| η | 0.0004068 | Pa×s | 507.54 | Joback Calculated Property |
| η | 0.0001933 | Pa×s | 560.69 | Joback Calculated Property |
| η | 0.0001045 | Pa×s | 613.84 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 666.98 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 720.13 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 773.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-((2-Ethylbutoxy)carbonyl)benzoic acid.
Sources
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