Chemical Properties of 1-Propyne, 3-chloro- (CAS 624-65-7)

InChI

InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2

InChI Key

LJZPPWWHKPGCHS-UHFFFAOYSA-N

Formula

C3H3Cl

SMILES

C#CCCl

Molecular Weight¹

74.51

CAS

624-65-7

Other Names

• 2-Propynyl chloride
• 3-Chloro-1-propyne
• 3-Chloropropyne
• CH2ClC«equiv»CH
• CH2ClC«equiv»CH
• Propargyl chloride
• Propyne, 3-chloro-

• 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°	185.52	kJ/mol	Joback Calculated Property
ΔfH°gas	170.91	kJ/mol	Joback Calculated Property
ΔfusH°	10.70	kJ/mol	Joback Calculated Property
ΔvapH°	26.52	kJ/mol	Joback Calculated Property
IE	[10.68; 10.76]	eV
IE	10.68	eV	NIST
IE	10.70	eV	NIST
IE	10.76	eV	NIST
IE	10.76	eV	NIST
IE	10.76	eV	NIST
log10WS	-1.03		Crippen Calculated Property
logPoct/wat	0.858		Crippen Calculated Property
McVol	56.770	ml/mol	McGowan Calculated Property
Pc	5138.68	kPa	Joback Calculated Property
Inp	[542.00; 545.00]
Inp	542.00		NIST
Inp	545.00		NIST
Inp	542.00		NIST
Inp	545.00		NIST
Tboil	[330.00; 331.20]	K
Tboil	331.00	K	NIST
Tboil	331.20	K	NIST
Tboil	330.00 ± 2.00	K	NIST
Tc	480.05	K	Joback Calculated Property
Tfus	200.46	K	Joback Calculated Property
Vc	0.214	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[74.18; 93.51]	J/mol×K	[295.59; 480.05]
Cp,gas	74.18	J/mol×K	295.59	Joback Calculated Property
Cp,gas	77.87	J/mol×K	326.33	Joback Calculated Property
Cp,gas	81.36	J/mol×K	357.08	Joback Calculated Property
Cp,gas	84.66	J/mol×K	387.82	Joback Calculated Property
Cp,gas	87.78	J/mol×K	418.57	Joback Calculated Property
Cp,gas	90.72	J/mol×K	449.31	Joback Calculated Property
Cp,gas	93.51	J/mol×K	480.05	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[238.41; 354.23]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41675e+01
Coefficient B			-2.83387e+03
Coefficient C			-3.42350e+01
Temperature range, min.			238.41
Temperature range, max.			354.23
Pvap	1.33	kPa	238.41	Calculated Property
Pvap	3.04	kPa	251.28	Calculated Property
Pvap	6.31	kPa	264.15	Calculated Property
Pvap	12.12	kPa	277.02	Calculated Property
Pvap	21.81	kPa	289.89	Calculated Property
Pvap	37.11	kPa	302.75	Calculated Property
Pvap	60.13	kPa	315.62	Calculated Property
Pvap	93.40	kPa	328.49	Calculated Property
Pvap	139.84	kPa	341.36	Calculated Property
Pvap	202.66	kPa	354.23	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propyne, 3-chloro-.

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.