Chemical Properties of Sulfide, ethyl propyl (CAS 4110-50-3)

InChI

InChI=1S/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3

InChI Key

ZDDDFDQTSXYYSE-UHFFFAOYSA-N

Formula

C5H12S

SMILES

CCCSCC

Molecular Weight¹

104.21

CAS

4110-50-3

Other Names

• 1-(ETHYLTHIO)PROPANE
• 3-THIAHEXANE
• ETHYL PROPYL THIO ETHER
• Ethyl n-propyl sulfide
• Ethyl propyl sulfide
• Ethyl propyl sulphide
• Ethyl propyl thioether
• Propane, 1-(ethylthio)-
• Propyl ethyl sulfide
• n-C3H7SC2H5

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-4139.90; -4139.50]	kJ/mol
ΔcH°liquid	-4139.90 ± 0.59	kJ/mol	NIST
ΔcH°liquid	-4139.50 ± 0.59	kJ/mol	NIST
ΔfG°	24.34	kJ/mol	Joback Calculated Property
ΔfH°gas	[-104.70; -104.50]	kJ/mol
ΔfH°gas	-104.70 ± 0.79	kJ/mol	NIST
ΔfH°gas	-104.50	kJ/mol	NIST
ΔfH°liquid	[-144.80; -144.60]	kJ/mol
ΔfH°liquid	-144.80 ± 0.79	kJ/mol	NIST
ΔfH°liquid	-144.60 ± 0.75	kJ/mol	NIST
ΔfusH°	12.84	kJ/mol	Joback Calculated Property
ΔvapH°	[39.50; 40.10]	kJ/mol
ΔvapH°	40.01	kJ/mol	NIST
ΔvapH°	Outlier 39.50	kJ/mol	NIST
ΔvapH°	40.00	kJ/mol	NIST
ΔvapH°	40.10 ± 0.04	kJ/mol	NIST
ΔvapH°	40.10	kJ/mol	NIST
ΔvapH°	40.08	kJ/mol	NIST
IE	[8.37; 8.50]	eV
IE	8.37	eV	NIST
IE	8.50 ± 0.05	eV	NIST
log10WS	-1.80		Crippen Calculated Property
logPoct/wat	2.150		Crippen Calculated Property
McVol	97.660	ml/mol	McGowan Calculated Property
Pc	3538.87	kPa	Joback Calculated Property
Inp	[782.00; 801.00]
Inp	794.00		NIST
Inp	794.00		NIST
Inp	801.00		NIST
Inp	785.00		NIST
Inp	785.00		NIST
Inp	782.00		NIST
Inp	783.00		NIST
Inp	785.00		NIST
Inp	794.00		NIST
I	[1017.00; 1017.00]
I	1017.00		NIST
I	1017.00		NIST
S°liquid	309.53	J/mol×K	NIST
Tboil	[389.00; 391.70]	K
Tboil	391.70	K	NIST
Tboil	391.70	K	NIST
Tboil	391.70 ± 0.30	K	NIST
Tboil	389.00 ± 3.00	K	NIST
Tc	572.69	K	Joback Calculated Property
Tfus	156.11 ± 0.10	K	NIST
Ttriple	[156.10; 156.10]	K
Ttriple	156.10 ± 0.04	K	NIST
Ttriple	156.10 ± 0.03	K	NIST
Vc	0.369	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.71; 224.63]	J/mol×K	[382.58; 572.69]
Cp,gas	169.71	J/mol×K	382.58	Joback Calculated Property
Cp,gas	179.76	J/mol×K	414.26	Joback Calculated Property
Cp,gas	189.45	J/mol×K	445.95	Joback Calculated Property
Cp,gas	198.78	J/mol×K	477.63	Joback Calculated Property
Cp,gas	207.75	J/mol×K	509.32	Joback Calculated Property
Cp,gas	216.36	J/mol×K	541.00	Joback Calculated Property
Cp,gas	224.63	J/mol×K	572.69	Joback Calculated Property
Cp,liquid	198.41	J/mol×K	298.15	NIST
ΔfusH	[10.58; 10.58]	kJ/mol	[156.10; 156.10]
ΔfusH	10.58	kJ/mol	156.10	NIST
ΔfusH	10.58	kJ/mol	156.10	NIST
ΔfusH	10.58	kJ/mol	156.10	NIST
ΔvapH	[34.24; 39.80]	kJ/mol	[355.50; 391.70]
ΔvapH	39.80	kJ/mol	355.50	NIST
ΔvapH	37.80	kJ/mol	364.50	NIST
ΔvapH	34.24	kJ/mol	391.70	NIST
ΔfusS	67.78	J/mol×K	156.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[287.68; 417.73]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42227e+01
Coefficient B			-3.21450e+03
Coefficient C			-5.70070e+01
Temperature range, min.			287.68
Temperature range, max.			417.73
Pvap	1.33	kPa	287.68	Calculated Property
Pvap	3.03	kPa	302.13	Calculated Property
Pvap	6.29	kPa	316.58	Calculated Property
Pvap	12.08	kPa	331.03	Calculated Property
Pvap	21.75	kPa	345.48	Calculated Property
Pvap	37.00	kPa	359.93	Calculated Property
Pvap	59.99	kPa	374.38	Calculated Property
Pvap	93.25	kPa	388.83	Calculated Property
Pvap	139.70	kPa	403.28	Calculated Property
Pvap	202.63	kPa	417.73	Calculated Property
Pvap	[1.37; 3391.50]	kPa	[287.15; 584.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.12345e+01
Coefficient B			-7.82974e+03
Coefficient C			-1.13601e+01
Coefficient D			7.81191e-06
Temperature range, min.			287.15
Temperature range, max.			584.00
Pvap	1.37	kPa	287.15	Calculated Property
Pvap	7.72	kPa	320.13	Calculated Property
Pvap	29.60	kPa	353.12	Calculated Property
Pvap	86.33	kPa	386.10	Calculated Property
Pvap	206.53	kPa	419.08	Calculated Property
Pvap	427.27	kPa	452.07	Calculated Property
Pvap	793.63	kPa	485.05	Calculated Property
Pvap	1360.34	kPa	518.03	Calculated Property
Pvap	2196.17	kPa	551.02	Calculated Property
Pvap	3391.50	kPa	584.00	Calculated Property

Similar Compounds

Find more compounds similar to Sulfide, ethyl propyl.

Sources

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

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