Chemical Properties of 1-Propene, 1-chloro-2-methyl- (CAS 513-37-1)

InChI

InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3

InChI Key

KWISWUFGPUHDRY-UHFFFAOYSA-N

Formula

C4H7Cl

SMILES

CC(C)=CCl

Molecular Weight¹

90.55

CAS

513-37-1

Other Names

• 1-Chloro-2-methyl-1-propene
• 1-Chloro-2-methylpropene
• 1-Chloroisobutylene
• 2,2-Dimethylvinyl chloride
• 2-Methyl-1-chloropropene
• 2-Methyl-1-propenyl chloride
• Dimethylvinylchloride
• Isocrotyl chloride
• NCI-C54819
• Propene, 1-chloro-2-methyl-
• «alpha»-Chloroisobutylene
• «beta»,«beta»-Dimethylvinyl chloride
• «alpha»-Chloroisobutylene
• «beta»,«beta»-Dimethylvinyl chloride

• 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).
• 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.
• 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°	42.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-34.20	kJ/mol	Joback Calculated Property
ΔfusH°	9.21	kJ/mol	Joback Calculated Property
ΔvapH°	28.92	kJ/mol	Joback Calculated Property
log10WS	-2.00		Crippen Calculated Property
logPoct/wat	2.149		Crippen Calculated Property
McVol	75.160	ml/mol	McGowan Calculated Property
Pc	3995.65	kPa	Joback Calculated Property
Inp	601.00		NIST
Tboil	[341.15; 341.25]	K
Tboil	341.20	K	NIST
Tboil	341.15 ± 2.00	K	NIST
Tboil	341.25 ± 1.00	K	NIST
Tc	518.49	K	Joback Calculated Property
Tfus	145.72	K	Joback Calculated Property
Vc	0.289	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[105.03; 143.59]	J/mol×K	[332.39; 518.49]
Cp,gas	105.03	J/mol×K	332.39	Joback Calculated Property
Cp,gas	112.34	J/mol×K	363.41	Joback Calculated Property
Cp,gas	119.28	J/mol×K	394.42	Joback Calculated Property
Cp,gas	125.86	J/mol×K	425.44	Joback Calculated Property
Cp,gas	132.09	J/mol×K	456.45	Joback Calculated Property
Cp,gas	137.99	J/mol×K	487.47	Joback Calculated Property
Cp,gas	143.59	J/mol×K	518.49	Joback Calculated Property
ΔvapH	33.20	kJ/mol	314.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 203.05]	kPa	[255.12; 363.76]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.32574e+01
Coefficient B			-2.22725e+03
Coefficient C			-8.33900e+01
Temperature range, min.			255.12
Temperature range, max.			363.76
Pvap	1.33	kPa	255.12	Calculated Property
Pvap	3.13	kPa	267.19	Calculated Property
Pvap	6.60	kPa	279.26	Calculated Property
Pvap	12.76	kPa	291.33	Calculated Property
Pvap	22.97	kPa	303.40	Calculated Property
Pvap	38.89	kPa	315.48	Calculated Property
Pvap	62.50	kPa	327.55	Calculated Property
Pvap	96.06	kPa	339.62	Calculated Property
Pvap	142.03	kPa	351.69	Calculated Property
Pvap	203.05	kPa	363.76	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propene, 1-chloro-2-methyl-.

Sources

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

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