Chemical Properties of trans-1-Chloropropene (CAS 16136-85-9)

InChI

InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+

InChI Key

OWXJKYNZGFSVRC-NSCUHMNNSA-N

Formula

C3H5Cl

SMILES

CC=CCl

Molecular Weight¹

76.53

CAS

16136-85-9

Other Names

• (E)-1-Chloro-1-propene
• (E)-1-Propene, 1-chloro
• 1-Propene, 1-chloro-, (E)-
• Propene, 1-chloro-, (E)-
• trans-1-Chloro-1-Propene
• trans-1-Propenyl chloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	42.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-12.00	kJ/mol	NIST
ΔfusH°	7.92	kJ/mol	Joback Calculated Property
ΔvapH°	26.62	kJ/mol	Joback Calculated Property
log10WS	-1.58		Crippen Calculated Property
logPoct/wat	1.759		Crippen Calculated Property
McVol	61.070	ml/mol	McGowan Calculated Property
Pc	4498.26	kPa	Joback Calculated Property
Inp	[510.00; 510.00]
Inp	510.00		NIST
Inp	510.00		NIST
Tboil	[37.40; 310.60]	K
Tboil	310.60	K	NIST
Tboil	309.85 ± 1.00	K	NIST
Tboil	309.90 ± 1.00	K	NIST
Tboil	37.40 ± 0.50	K	NIST
Tc	491.40	K	Joback Calculated Property
Tfus	148.41	K	Joback Calculated Property
Vc	0.233	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[75.64; 104.74]	J/mol×K	[309.63; 491.40]
Cp,gas	75.64	J/mol×K	309.63	Joback Calculated Property
Cp,gas	81.19	J/mol×K	339.93	Joback Calculated Property
Cp,gas	86.44	J/mol×K	370.22	Joback Calculated Property
Cp,gas	91.40	J/mol×K	400.52	Joback Calculated Property
Cp,gas	96.10	J/mol×K	430.81	Joback Calculated Property
Cp,gas	100.54	J/mol×K	461.11	Joback Calculated Property
Cp,gas	104.74	J/mol×K	491.40	Joback Calculated Property
η	[0.0002055; 0.0027616]	Pa×s	[148.41; 309.63]
η	0.0027616	Pa×s	148.41	Joback Calculated Property
η	0.0012852	Pa×s	175.28	Joback Calculated Property
η	0.0007330	Pa×s	202.15	Joback Calculated Property
η	0.0004769	Pa×s	229.02	Joback Calculated Property
η	0.0003396	Pa×s	255.89	Joback Calculated Property
η	0.0002580	Pa×s	282.76	Joback Calculated Property
η	0.0002055	Pa×s	309.63	Joback Calculated Property
ΔvapH	[28.50; 29.70]	kJ/mol	[292.00; 308.50]
ΔvapH	29.70	kJ/mol	292.00	NIST
ΔvapH	28.50	kJ/mol	308.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[225.13; 332.09]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41161e+01
Coefficient B			-2.59220e+03
Coefficient C			-3.76730e+01
Temperature range, min.			225.13
Temperature range, max.			332.09
Pvap	1.33	kPa	225.13	Calculated Property
Pvap	3.04	kPa	237.01	Calculated Property
Pvap	6.32	kPa	248.90	Calculated Property
Pvap	12.15	kPa	260.78	Calculated Property
Pvap	21.87	kPa	272.67	Calculated Property
Pvap	37.20	kPa	284.55	Calculated Property
Pvap	60.25	kPa	296.44	Calculated Property
Pvap	93.54	kPa	308.32	Calculated Property
Pvap	139.95	kPa	320.21	Calculated Property
Pvap	202.68	kPa	332.09	Calculated Property

Similar Compounds

Find more compounds similar to trans-1-Chloropropene.

Sources

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

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