Chemical Properties of CH3C(O)O(CH2)3CH=CH2 (CAS 1576-85-8)

InChI

InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3

InChI Key

LVHDNIMNOMRZMF-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C=CCCCOC(C)=O

Molecular Weight¹

128.17

CAS

1576-85-8

Other Names

• 4-Penten-1-ol acetate
• 4-Penten-1-yl acetate
• 4-Pentenyl acetate
• 5-Acetoxy-1-pentene
• pent-4-ene-1-yl acetate

• ω : Acentric Factor.
• 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).
• 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.
• 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
ω	0.4222		Relay (1.0) Calculated Property
ΔfG°	-214.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.98	kJ/mol	Joback Calculated Property
ΔvapH°	48.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-1.42		Relay (1.0) Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	2944.08	kPa	Joback Calculated Property
Inp	[861.00; 901.90]
Inp	861.00		NIST
Inp	901.90		NIST
Inp	890.00		NIST
Inp	861.00		NIST
Inp	861.00		NIST
I	[1204.00; 1204.00]
I	1204.00		NIST
I	1204.00		NIST
Tboil	418.20	K	NIST
Tc	608.94	K	Relay (1.0) Calculated Property
Tfus	206.05	K	Relay (1.0) Calculated Property
Vc	0.415	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.51; 360.06]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.89430e+01
Coefficient B			5.94020e-01
Coefficient C			-2.85300e-04
Coefficient D			3.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.51	J/mol×K	273.00	Calculated Property
Cp,gas	194.82	J/mol×K	353.78	Calculated Property
Cp,gas	225.86	J/mol×K	434.56	Calculated Property
Cp,gas	253.73	J/mol×K	515.33	Calculated Property
Cp,gas	278.53	J/mol×K	596.11	Calculated Property
Cp,gas	300.36	J/mol×K	676.89	Calculated Property
Cp,gas	319.33	J/mol×K	757.67	Calculated Property
Cp,gas	335.53	J/mol×K	838.44	Calculated Property
Cp,gas	349.08	J/mol×K	919.22	Calculated Property
Cp,gas	360.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053740; 0.0002526]	Pa×s	[209.22; 413.71]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14116e+01
Coefficient B			1.29412e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			209.22
Temperature range, max.			413.71
η	0.0053740	Pa×s	209.22	Calculated Property
η	0.0029319	Pa×s	231.94	Calculated Property
η	0.0017822	Pa×s	254.66	Calculated Property
η	0.0011754	Pa×s	277.38	Calculated Property
η	0.0008256	Pa×s	300.10	Calculated Property
η	0.0006095	Pa×s	322.82	Calculated Property
η	0.0004683	Pa×s	345.54	Calculated Property
η	0.0003717	Pa×s	368.26	Calculated Property
η	0.0003030	Pa×s	390.99	Calculated Property
η	0.0002526	Pa×s	413.71	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[315.22; 442.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54662e+01
Coefficient B			-3.91341e+03
Coefficient C			-5.73960e+01
Temperature range, min.			315.22
Temperature range, max.			442.77
Pvap	1.33	kPa	315.22	Calculated Property
Pvap	2.94	kPa	329.39	Calculated Property
Pvap	6.00	kPa	343.56	Calculated Property
Pvap	11.43	kPa	357.74	Calculated Property
Pvap	20.56	kPa	371.91	Calculated Property
Pvap	35.16	kPa	386.08	Calculated Property
Pvap	57.52	kPa	400.25	Calculated Property
Pvap	90.48	kPa	414.43	Calculated Property
Pvap	137.50	kPa	428.60	Calculated Property
Pvap	202.62	kPa	442.77	Calculated Property

Similar Compounds

Find more compounds similar to CH3C(O)O(CH2)3CH=CH2.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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