Chemical Properties of Ethyl n-propyl disulfide (CAS 30453-31-7)

InChI

InChI=1S/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3

InChI Key

SNGRPWPVGSSZGV-UHFFFAOYSA-N

Formula

C5H12S2

SMILES

CCCSSCC

Molecular Weight¹

136.28

CAS

30453-31-7

Other Names

• 1-(Ethyldisulfanyl)propane
• 3,4-Dithiaheptane
• Disulfide, ethyl propyl
• Ethyl n-propyl disulphide
• Ethyl propyl disulfide
• Ethyl propyl disulphide

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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°	57.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-62.79	kJ/mol	Joback Calculated Property
ΔfusH°	16.97	kJ/mol	Joback Calculated Property
ΔvapH°	40.36	kJ/mol	Joback Calculated Property
log10WS	-2.67		Crippen Calculated Property
logPoct/wat	2.798		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Pc	3611.55	kPa	Joback Calculated Property
Inp	[996.00; 1026.00]
Inp	1026.00		NIST
Inp	996.00		NIST
Inp	1010.00		NIST
Inp	1026.00		NIST
Inp	1022.00		NIST
Inp	1010.00		NIST
I	[1289.00; 1339.00]
I	1322.00		NIST
I	1289.00		NIST
I	1339.00		NIST
I	1322.00		NIST
Tboil	446.00 ± 1.50	K	NIST
Tc	666.63	K	Joback Calculated Property
Tfus	214.91	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.79; 272.66]	J/mol×K	[451.36; 666.63]
Cp,gas	213.79	J/mol×K	451.36	Joback Calculated Property
Cp,gas	224.75	J/mol×K	487.24	Joback Calculated Property
Cp,gas	235.26	J/mol×K	523.12	Joback Calculated Property
Cp,gas	245.30	J/mol×K	558.99	Joback Calculated Property
Cp,gas	254.88	J/mol×K	594.87	Joback Calculated Property
Cp,gas	264.00	J/mol×K	630.75	Joback Calculated Property
Cp,gas	272.66	J/mol×K	666.63	Joback Calculated Property
ΔvapH	44.00	kJ/mol	393.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[328.18; 475.62]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41170e+01
Coefficient B			-3.57373e+03
Coefficient C			-6.97650e+01
Temperature range, min.			328.18
Temperature range, max.			475.62
Pvap	1.33	kPa	328.18	Calculated Property
Pvap	3.04	kPa	344.56	Calculated Property
Pvap	6.32	kPa	360.94	Calculated Property
Pvap	12.15	kPa	377.33	Calculated Property
Pvap	21.87	kPa	393.71	Calculated Property
Pvap	37.19	kPa	410.09	Calculated Property
Pvap	60.24	kPa	426.47	Calculated Property
Pvap	93.53	kPa	442.86	Calculated Property
Pvap	139.93	kPa	459.24	Calculated Property
Pvap	202.67	kPa	475.62	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl n-propyl disulfide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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