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

• 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).
• 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
ΔfG°	-138.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-307.18	kJ/mol	Joback Calculated Property
ΔfusH°	15.39	kJ/mol	Joback Calculated Property
ΔvapH°	39.66	kJ/mol	Joback Calculated Property
log10WS	-1.47		Crippen Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	3079.57	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	612.55	K	Joback Calculated Property
Tfus	239.05	K	Joback Calculated Property
Vc	0.432	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.85; 279.98]	J/mol×K	[432.53; 612.55]
Cp,gas	222.85	J/mol×K	432.53	Joback Calculated Property
Cp,gas	233.32	J/mol×K	462.53	Joback Calculated Property
Cp,gas	243.41	J/mol×K	492.54	Joback Calculated Property
Cp,gas	253.12	J/mol×K	522.54	Joback Calculated Property
Cp,gas	262.44	J/mol×K	552.54	Joback Calculated Property
Cp,gas	271.40	J/mol×K	582.54	Joback Calculated Property
Cp,gas	279.98	J/mol×K	612.55	Joback Calculated Property
η	[0.0002641; 0.0028577]	Pa×s	[239.05; 432.53]
η	0.0028577	Pa×s	239.05	Joback Calculated Property
η	0.0015177	Pa×s	271.30	Joback Calculated Property
η	0.0009221	Pa×s	303.54	Joback Calculated Property
η	0.0006165	Pa×s	335.79	Joback Calculated Property
η	0.0004423	Pa×s	368.04	Joback Calculated Property
η	0.0003347	Pa×s	400.28	Joback Calculated Property
η	0.0002641	Pa×s	432.53	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[315.22; 442.77]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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