Chemical Properties of 1,5-Pentanedithiol (CAS 928-98-3)

InChI

InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2

InChI Key

KMTUBAIXCBHPIZ-UHFFFAOYSA-N

Formula

C5H12S2

SMILES

SCCCCCS

Molecular Weight¹

136.28

CAS

928-98-3

Other Names

• 1,5-Dimercaptopentane
• pentane-1,5-dithiol

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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_boilr : Boiling point at reduced pressure (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
ΔcH°liquid	-4757.10 ± 1.20	kJ/mol	NIST
ΔfG°	50.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-71.00 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-130.30 ± 1.30	kJ/mol	NIST
ΔfusH°	16.79	kJ/mol	Joback Calculated Property
ΔvapH°	[59.29; 59.30]	kJ/mol
ΔvapH°	59.29	kJ/mol	NIST
ΔvapH°	59.29 ± 0.42	kJ/mol	NIST
ΔvapH°	59.30	kJ/mol	NIST
ΔvapH°	59.30	kJ/mol	NIST
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	2.016		Crippen Calculated Property
McVol	114.010	ml/mol	McGowan Calculated Property
Pc	4056.96	kPa	Joback Calculated Property
Inp	[1147.00; 1167.00]
Inp	1167.00		NIST
Inp	1147.00		NIST
Inp	1152.00		NIST
Inp	1167.00		NIST
Inp	1167.00		NIST
I	[1672.00; 1672.00]
I	1672.00		NIST
I	1672.00		NIST
Tboil	439.52	K	Joback Calculated Property
Tc	654.99	K	Joback Calculated Property
Tfus	219.03	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.02; 268.52]	J/mol×K	[439.52; 654.99]
Cp,gas	211.02	J/mol×K	439.52	Joback Calculated Property
Cp,gas	221.89	J/mol×K	475.43	Joback Calculated Property
Cp,gas	232.22	J/mol×K	511.34	Joback Calculated Property
Cp,gas	242.03	J/mol×K	547.25	Joback Calculated Property
Cp,gas	251.34	J/mol×K	583.17	Joback Calculated Property
Cp,gas	260.16	J/mol×K	619.08	Joback Calculated Property
Cp,gas	268.52	J/mol×K	654.99	Joback Calculated Property
ΔvapH	51.60	kJ/mol	427.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[362.54; 525.39]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52519e+01
Coefficient B			-4.82198e+03
Coefficient C			-4.03040e+01
Temperature range, min.			362.54
Temperature range, max.			525.39
Pvap	1.33	kPa	362.54	Calculated Property
Pvap	2.95	kPa	380.63	Calculated Property
Pvap	6.04	kPa	398.73	Calculated Property
Pvap	11.53	kPa	416.82	Calculated Property
Pvap	20.75	kPa	434.92	Calculated Property
Pvap	35.45	kPa	453.01	Calculated Property
Pvap	57.91	kPa	471.11	Calculated Property
Pvap	90.92	kPa	489.20	Calculated Property
Pvap	137.86	kPa	507.30	Calculated Property
Pvap	202.63	kPa	525.39	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Pentanedithiol.

Sources

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

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