Chemical Properties of Ethane, 1-[(2-diisopropylamino)ethylthio]-2-[(2-diisopropylamino)ethyldithio]- (CAS 110501-59-2)

InChI

InChI=1S/C18H40N2S3/c1-15(2)19(16(3)4)9-11-21-13-14-23-22-12-10-20(17(5)6)18(7)8/h15-18H,9-14H2,1-8H3

InChI Key

SJWQWVJUFZBBOV-UHFFFAOYSA-N

Formula

C18H40N2S3

SMILES

CC(C)N(CCSCCSSCCN(C(C)C)C(C)C)C(C)C

Molecular Weight¹

380.72

CAS

110501-59-2

Other Names

• 1,9-bis-[Diisopropylamino)-3,4,7-trithianonane
• 2-Diisopropylaminoethyl 2-(diisopropylaminoethyl)thioethyl disulfide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	411.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-175.30	kJ/mol	Joback Calculated Property
ΔfusH°	46.72	kJ/mol	Joback Calculated Property
ΔvapH°	78.65	kJ/mol	Joback Calculated Property
log10WS	-5.59		Crippen Calculated Property
logPoct/wat	5.339		Crippen Calculated Property
McVol	333.490	ml/mol	McGowan Calculated Property
Pc	1216.59	kPa	Joback Calculated Property
Inp	[2533.00; 2567.50]
Inp	2533.00		NIST
Inp	2567.50		NIST
Inp	2533.00		NIST
Inp	2567.50		NIST
Inp	2533.00		NIST
Tboil	840.70	K	Joback Calculated Property
Tc	1048.10	K	Joback Calculated Property
Tfus	400.76	K	Joback Calculated Property
Vc	1.218	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1028.61; 1124.16]	J/mol×K	[840.70; 1048.10]
Cp,gas	1028.61	J/mol×K	840.70	Joback Calculated Property
Cp,gas	1047.75	J/mol×K	875.27	Joback Calculated Property
Cp,gas	1065.55	J/mol×K	909.83	Joback Calculated Property
Cp,gas	1082.04	J/mol×K	944.40	Joback Calculated Property
Cp,gas	1097.27	J/mol×K	978.97	Joback Calculated Property
Cp,gas	1111.30	J/mol×K	1013.53	Joback Calculated Property
Cp,gas	1124.16	J/mol×K	1048.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1-[(2-diisopropylamino)ethylthio]-2-[(2-diisopropylamino)ethyldithio]-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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