Chemical Properties of Tert-octyl mercaptan (CAS 7341-16-4)

InChI

InChI=1S/C8H18S/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3

InChI Key

YBZXKSZKVDFBJI-UHFFFAOYSA-N

Formula

C8H18S

SMILES

CC(C)(C)CCCCS

Molecular Weight¹

146.29

CAS

7341-16-4

• ω : Acentric Factor.
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• 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

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Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.52; 458.89]	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			-1.39660e+01
Coefficient B			9.16960e-01
Coefficient C			-6.05600e-04
Coefficient D			1.61500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.52	J/mol×K	273.00	Calculated Property
Cp,gas	241.79	J/mol×K	353.78	Calculated Property
Cp,gas	283.40	J/mol×K	434.56	Calculated Property
Cp,gas	319.85	J/mol×K	515.33	Calculated Property
Cp,gas	351.66	J/mol×K	596.11	Calculated Property
Cp,gas	379.33	J/mol×K	676.89	Calculated Property
Cp,gas	403.38	J/mol×K	757.67	Calculated Property
Cp,gas	424.31	J/mol×K	838.44	Calculated Property
Cp,gas	442.65	J/mol×K	919.22	Calculated Property
Cp,gas	458.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[323.32; 508.92]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.24305e+01
Coefficient B			-3.19364e+03
Coefficient C			-6.03150e+01
Temperature range, min.			323.32
Temperature range, max.			508.92
Pvap	1.33	kPa	323.32	Calculated Property
Pvap	3.22	kPa	343.94	Calculated Property
Pvap	6.91	kPa	364.56	Calculated Property
Pvap	13.46	kPa	385.19	Calculated Property
Pvap	24.21	kPa	405.81	Calculated Property
Pvap	40.75	kPa	426.43	Calculated Property
Pvap	64.88	kPa	447.05	Calculated Property
Pvap	98.56	kPa	467.68	Calculated Property
Pvap	143.80	kPa	488.30	Calculated Property
Pvap	202.64	kPa	508.92	Calculated Property

Similar Compounds

Find more compounds similar to Tert-octyl mercaptan.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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