Chemical Properties of Carbamodithioic acid, diethyl-, propyl ester

InChI

InChI=1S/C8H17NS2/c1-4-7-11-8(10)9(5-2)6-3/h4-7H2,1-3H3

InChI Key

YSSAGHQOEYPLQO-UHFFFAOYSA-N

Formula

C8H17NS2

SMILES

CCCSC(=S)N(CC)CC

Molecular Weight¹

191.37

Other Names

• Carbamic acid, diethyldithio-, propyl ester
• N,N-Diethyl S-propyl dithiocarbamate
• S-Propyl N,N-diethyldithiocarbamate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-50.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.23	kJ/mol	Joback Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	2.756		Crippen Calculated Property
McVol	161.960	ml/mol	McGowan Calculated Property
Inp	[1520.00; 1569.00]
Inp	1520.00		NIST
Inp	1569.00		NIST
Tfus	248.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[357.57; 430.31]	J/mol×K	[533.90; 742.21]
Cp,gas	357.57	J/mol×K	533.90	Joback Calculated Property
Cp,gas	371.65	J/mol×K	568.62	Joback Calculated Property
Cp,gas	384.89	J/mol×K	603.34	Joback Calculated Property
Cp,gas	397.32	J/mol×K	638.06	Joback Calculated Property
Cp,gas	409.00	J/mol×K	672.77	Joback Calculated Property
Cp,gas	419.98	J/mol×K	707.49	Joback Calculated Property
Cp,gas	430.31	J/mol×K	742.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbamodithioic acid, diethyl-, propyl 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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