Chemical Properties of Sulfide, isopropyl phenyl (CAS 3019-20-3)

InChI

InChI=1S/C9H12S/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3

InChI Key

SNOAHAUUBQMVGW-UHFFFAOYSA-N

Formula

C9H12S

SMILES

CC(C)Sc1ccccc1

Molecular Weight¹

152.26

CAS

3019-20-3

Other Names

• (Isopropylthio)benzene
• Benzene, [(1-methylethyl)thio]-
• Isopropyl phenyl sulfide
• Phenyl isopropyl sulfide

• 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).
• IE : Ionization energy (eV).
• 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.
• 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°	167.99	kJ/mol	Joback Calculated Property
ΔfH°gas	44.03	kJ/mol	Joback Calculated Property
ΔfusH°	13.71	kJ/mol	Joback Calculated Property
ΔvapH°	44.33	kJ/mol	Joback Calculated Property
IE	[7.90; 8.46]	eV
IE	7.90	eV	NIST
IE	8.46	eV	NIST
log10WS	-3.16		Crippen Calculated Property
logPoct/wat	3.187		Crippen Calculated Property
McVol	130.260	ml/mol	McGowan Calculated Property
Pc	3356.75	kPa	Joback Calculated Property
Inp	[1184.00; 1184.00]
Inp	1184.00		NIST
Inp	1184.00		NIST
Tboil	500.34	K	Joback Calculated Property
Tc	736.46	K	Joback Calculated Property
Tfus	237.01	K	Joback Calculated Property
Vc	0.479	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.63; 341.10]	J/mol×K	[500.34; 736.46]
Cp,gas	265.63	J/mol×K	500.34	Joback Calculated Property
Cp,gas	280.49	J/mol×K	539.69	Joback Calculated Property
Cp,gas	294.39	J/mol×K	579.05	Joback Calculated Property
Cp,gas	307.37	J/mol×K	618.40	Joback Calculated Property
Cp,gas	319.45	J/mol×K	657.75	Joback Calculated Property
Cp,gas	330.69	J/mol×K	697.10	Joback Calculated Property
Cp,gas	341.10	J/mol×K	736.46	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[356.11; 534.98]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.32442e+01
Coefficient B			-3.65946e+03
Coefficient C			-7.36700e+01
Temperature range, min.			356.11
Temperature range, max.			534.98
Pvap	1.33	kPa	356.11	Calculated Property
Pvap	3.12	kPa	375.98	Calculated Property
Pvap	6.59	kPa	395.86	Calculated Property
Pvap	12.76	kPa	415.73	Calculated Property
Pvap	22.95	kPa	435.61	Calculated Property
Pvap	38.85	kPa	455.48	Calculated Property
Pvap	62.43	kPa	475.36	Calculated Property
Pvap	95.92	kPa	495.23	Calculated Property
Pvap	141.79	kPa	515.11	Calculated Property
Pvap	202.65	kPa	534.98	Calculated Property

Similar Compounds

Find more compounds similar to Sulfide, isopropyl phenyl.

Sources

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

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.