- InChI
- InChI=1S/C19H30O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-5,15-17H,2-3,6-14H2,1H3
- InChI Key
- WWVDZEGDUSTVJQ-UHFFFAOYSA-N
- Formula
- C19H30O4
- SMILES
-
CCCCOC(=O)C1CCCCC1C(=O)OCC1CC=
CCC1 - Molecular Weight1
- 322.44
- 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 | 0.6860 | Relay (1.0) Calculated Property | |
| ΔfG° | -287.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -891.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.036 | Crippen Calculated Property | |
| McVol | 267.430 | ml/mol | McGowan Calculated Property |
| Pc | 1553.67 | kPa | Joback Calculated Property |
| Inp | 2320.00 | NIST | |
| Tboil | 641.71 | K | Relay (1.0) Calculated Property |
| Tc | 844.72 | K | Relay (1.0) Calculated Property |
| Tfus | 290.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [878.02; 972.08] | J/mol×K | [820.29; 1036.84] | 
|
| Cp,gas | 878.02 | J/mol×K | 820.29 | Joback Calculated Property |
| Cp,gas | 897.74 | J/mol×K | 856.38 | Joback Calculated Property |
| Cp,gas | 915.81 | J/mol×K | 892.47 | Joback Calculated Property |
| Cp,gas | 932.25 | J/mol×K | 928.57 | Joback Calculated Property |
| Cp,gas | 947.10 | J/mol×K | 964.66 | Joback Calculated Property |
| Cp,gas | 960.36 | J/mol×K | 1000.75 | Joback Calculated Property |
| Cp,gas | 972.08 | J/mol×K | 1036.84 | Joback Calculated Property |
| η | [0.0000907; 0.0012502] | Pa×s | [459.49; 820.29] |
|
| η | 0.0012502 | Pa×s | 459.49 | Joback Calculated Property |
| η | 0.0006268 | Pa×s | 519.62 | Joback Calculated Property |
| η | 0.0003627 | Pa×s | 579.76 | Joback Calculated Property |
| η | 0.0002326 | Pa×s | 639.89 | Joback Calculated Property |
| η | 0.0001610 | Pa×s | 700.02 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 760.16 | Joback Calculated Property |
| η | 0.0000907 | Pa×s | 820.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl cyclohex-3-enylmethyl ester.
Sources
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