Chemical Properties of Carbamodithioic acid, dibutyl-, ethyl ester (CAS 41577-26-8)

InChI

InChI=1S/C11H23NS2/c1-4-7-9-12(10-8-5-2)11(13)14-6-3/h4-10H2,1-3H3

InChI Key

SCVJPCNSLINRAL-UHFFFAOYSA-N

Formula

C11H23NS2

SMILES

CCCCN(CCCC)C(=S)SCC

Molecular Weight¹

233.44

CAS

41577-26-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.00	kJ/mol	Joback Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	3.927		Crippen Calculated Property
McVol	204.230	ml/mol	McGowan Calculated Property
Inp	[1541.00; 1541.00]
Inp	1541.00		NIST
Inp	1541.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.98; 646.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.79300e+00
Coefficient B			1.27454e+00
Coefficient C			-8.58400e-04
Coefficient D			2.36000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.98	J/mol×K	273.00	Calculated Property
Cp,gas	348.12	J/mol×K	353.78	Calculated Property
Cp,gas	405.33	J/mol×K	434.56	Calculated Property
Cp,gas	455.35	J/mol×K	515.33	Calculated Property
Cp,gas	498.93	J/mol×K	596.11	Calculated Property
Cp,gas	536.82	J/mol×K	676.89	Calculated Property
Cp,gas	569.76	J/mol×K	757.67	Calculated Property
Cp,gas	598.49	J/mol×K	838.44	Calculated Property
Cp,gas	623.78	J/mol×K	919.22	Calculated Property
Cp,gas	646.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbamodithioic acid, dibutyl-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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