- InChI
- InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
- InChI Key
- DFCAFRGABIXSDS-UHFFFAOYSA-N
- Formula
- C11H21NOS
- SMILES
- CCSC(=O)N(CC)C1CCCCC1
- Molecular Weight1
- 215.36
- CAS
- 1134-23-2
- Other Names
-
- Carbamic acid, cyclohexylethylthio-, S-ethyl ester
- Carbamothioic acid, cyclohexylethyl-, S-ethyl ester
- Cyclohexanecarbamic acid, N-ethylthio-, S-ethyl ester
- Etsan
- Eurex
- Hexylthiocarbam
- R 2063
- Ro-Neet
- Ro-Neet 6E
- Ronit
- S-Ethyl (cyclohexyl)ethylthiocarbamate
- S-Ethyl N-cyclohexyl-N-ethylthiocarbamate
- S-Ethyl N-ethyl-N-cyclohexylthiocarbamate
- S-ethyl N-cyclohexylthiocarbamate
- Sabet
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.4384 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.40; -3.40] |
|
|
| log10WS | -3.40 | Aq. Solubility Prediction | |
| log10WS | -3.40 | Estimated Solubility | |
| logPoct/wat | 3.514 | Crippen Calculated Property | |
| McVol | 182.890 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Inp | [1638.00; 1642.00] |
|
|
| Inp | 1638.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Tboil | 562.30 | K | Relay (1.0) Calculated Property |
| Tc | 762.46 | K | Relay (1.0) Calculated Property |
| Tfus | 284.65 | K | Aq. Solubility Prediction |
| Vc | 0.630 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.17; 574.35] | J/mol×K | [605.72; 825.06] |
|
| Cp,gas | 476.17 | J/mol×K | 605.72 | Joback Calculated Property |
| Cp,gas | 495.47 | J/mol×K | 642.28 | Joback Calculated Property |
| Cp,gas | 513.55 | J/mol×K | 678.83 | Joback Calculated Property |
| Cp,gas | 530.43 | J/mol×K | 715.39 | Joback Calculated Property |
| Cp,gas | 546.17 | J/mol×K | 751.95 | Joback Calculated Property |
| Cp,gas | 560.80 | J/mol×K | 788.51 | Joback Calculated Property |
| Cp,gas | 574.35 | J/mol×K | 825.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cycloate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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