- InChI
- InChI=1S/C18H19ClO2/c19-14-6-2-5-9-18(20)21-17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13H,2,5-6,9,14H2
- InChI Key
- SVXWLQJIWBRKSA-UHFFFAOYSA-N
- Formula
- C18H19ClO2
- SMILES
-
O=C(CCCCCCl)Oc1ccc(-c2ccccc2)c
c1 - Molecular Weight1
- 302.80
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 70.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.42 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 5.058 | Crippen Calculated Property | |
| McVol | 236.640 | ml/mol | McGowan Calculated Property |
| Pc | 1906.90 | kPa | Joback Calculated Property |
| Inp | 2646.00 | NIST | |
| Tboil | 783.30 | K | Joback Calculated Property |
| Tc | 1011.53 | K | Joback Calculated Property |
| Tfus | 460.06 | K | Joback Calculated Property |
| Vc | 0.900 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [652.33; 726.53] | J/mol×K | [783.30; 1011.53] | 
|
| Cp,gas | 652.33 | J/mol×K | 783.30 | Joback Calculated Property |
| Cp,gas | 667.48 | J/mol×K | 821.34 | Joback Calculated Property |
| Cp,gas | 681.45 | J/mol×K | 859.38 | Joback Calculated Property |
| Cp,gas | 694.28 | J/mol×K | 897.42 | Joback Calculated Property |
| Cp,gas | 706.03 | J/mol×K | 935.45 | Joback Calculated Property |
| Cp,gas | 716.76 | J/mol×K | 973.49 | Joback Calculated Property |
| Cp,gas | 726.53 | J/mol×K | 1011.53 | Joback Calculated Property |
| η | [0.0000872; 0.0008671] | Pa×s | [460.06; 783.30] |
|
| η | 0.0008671 | Pa×s | 460.06 | Joback Calculated Property |
| η | 0.0004838 | Pa×s | 513.93 | Joback Calculated Property |
| η | 0.0003016 | Pa×s | 567.81 | Joback Calculated Property |
| η | 0.0002040 | Pa×s | 621.68 | Joback Calculated Property |
| η | 0.0001469 | Pa×s | 675.55 | Joback Calculated Property |
| η | 0.0001110 | Pa×s | 729.43 | Joback Calculated Property |
| η | 0.0000872 | Pa×s | 783.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, 4-biphenyl ester.
Sources
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