Chemical Properties of 1,3-Dithiane, 2-methyl- (CAS 6007-26-7)

InChI

InChI=1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3

InChI Key

KXROTPXCYDXGSC-UHFFFAOYSA-N

Formula

C5H10S2

SMILES

CC1SCCCS1

Molecular Weight¹

134.26

CAS

6007-26-7

Other Names

• m-Dithiane, 2-methyl-
• 2-Methyl-1,3-dithiane
• 2-Methyl-m-dithiane
• Methyl-2 dithiane-1,3
• Acetaldehyde, cyclic trimethylene mercaptal

• 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).
• 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).
• 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
ω	0.2125		Relay (1.0) Calculated Property
ΔfG°	95.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-74.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.85	kJ/mol	Joback Calculated Property
ΔvapH°	51.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-1.46		Relay (1.0) Calculated Property
logPoct/wat	2.202		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Pc	4414.96	kPa	Joback Calculated Property
Inp	[1019.00; 1035.00]
Inp	1033.00		NIST
Inp	1035.00		NIST
Inp	1019.00		NIST
Inp	1024.00		NIST
Inp	1029.00		NIST
Inp	1023.00		NIST
Inp	1033.00		NIST
Inp	1023.00		NIST
I	[1476.00; 1480.00]
I	1476.00		NIST
I	1480.00		NIST
Tboil	462.02	K	Relay (1.0) Calculated Property
Tc	691.90	K	Relay (1.0) Calculated Property
Tfus	256.85	K	Relay (1.0) Calculated Property
Vc	0.340	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.03; 256.93]	J/mol×K	[429.01; 672.02]
Cp,gas	185.03	J/mol×K	429.01	Joback Calculated Property
Cp,gas	199.05	J/mol×K	469.51	Joback Calculated Property
Cp,gas	212.21	J/mol×K	510.01	Joback Calculated Property
Cp,gas	224.55	J/mol×K	550.52	Joback Calculated Property
Cp,gas	236.10	J/mol×K	591.02	Joback Calculated Property
Cp,gas	246.88	J/mol×K	631.52	Joback Calculated Property
Cp,gas	256.93	J/mol×K	672.02	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,3-Dithiane, 2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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