Chemical Properties of 2-Hepten-1-ol, (E)- (CAS 33467-76-4)

InChI

InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+

InChI Key

ASFYPVGAALGVNR-AATRIKPKSA-N

Formula

C7H14O

SMILES

CCCC/C=C/CO

Molecular Weight¹

114.19

CAS

33467-76-4

Other Names

• (2E)-2-Hepten-1-ol
• (E)-2-Hepten-1-ol
• (E)-2-Heptenol
• (E)-hept-2-en-1-ol
• trans-2-Hepten-1-ol

• 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	0.5856		Relay (1.0) Calculated Property
ΔfG°	-48.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-243.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.18	kJ/mol	Joback Calculated Property
ΔvapH°	66.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-1.83		Relay (1.0) Calculated Property
logPoct/wat	1.725		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
Pc	3280.28	kPa	Joback Calculated Property
Inp	[970.00; 986.00]
Inp	986.00		NIST
Inp	970.00		NIST
I	[1504.00; 1536.00]
I	1504.00		NIST
I	1536.00		NIST
I	1517.00		NIST
I	1507.00		NIST
I	1517.00		NIST
Tboil	450.86	K	Relay (1.0) Calculated Property
Tc	632.92	K	Relay (1.0) Calculated Property
Tfus	224.72	K	Relay (1.0) Calculated Property
Vc	0.397	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.48; 368.55]	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			-1.23660e+01
Coefficient B			7.22820e-01
Coefficient C			-4.71200e-04
Coefficient D			1.29300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.48	J/mol×K	273.00	Calculated Property
Cp,gas	190.10	J/mol×K	353.78	Calculated Property
Cp,gas	223.37	J/mol×K	434.56	Calculated Property
Cp,gas	252.69	J/mol×K	515.33	Calculated Property
Cp,gas	278.46	J/mol×K	596.11	Calculated Property
Cp,gas	301.11	J/mol×K	676.89	Calculated Property
Cp,gas	321.03	J/mol×K	757.67	Calculated Property
Cp,gas	338.64	J/mol×K	838.44	Calculated Property
Cp,gas	354.35	J/mol×K	919.22	Calculated Property
Cp,gas	368.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0712349; 0.0002210]	Pa×s	[224.39; 436.75]	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			-1.45202e+01
Coefficient B			2.66539e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			224.39
Temperature range, max.			436.75
η	0.0712349	Pa×s	224.39	Calculated Property
η	0.0230065	Pa×s	247.99	Calculated Property
η	0.0090427	Pa×s	271.58	Calculated Property
η	0.0041265	Pa×s	295.18	Calculated Property
η	0.0021150	Pa×s	318.77	Calculated Property
η	0.0011886	Pa×s	342.37	Calculated Property
η	0.0007195	Pa×s	365.96	Calculated Property
η	0.0004629	Pa×s	389.56	Calculated Property
η	0.0003132	Pa×s	413.15	Calculated Property
η	0.0002210	Pa×s	436.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.54; 202.63]	kPa	[330.15; 477.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.59355e+01
Coefficient B			-4.35749e+03
Coefficient C			-6.68480e+01
Temperature range, min.			330.15
Temperature range, max.			477.00
Pvap	0.54	kPa	330.15	Calculated Property
Pvap	1.42	kPa	346.47	Calculated Property
Pvap	3.36	kPa	362.78	Calculated Property
Pvap	7.25	kPa	379.10	Calculated Property
Pvap	14.49	kPa	395.42	Calculated Property
Pvap	27.14	kPa	411.73	Calculated Property
Pvap	48.02	kPa	428.05	Calculated Property
Pvap	80.88	kPa	444.37	Calculated Property
Pvap	130.48	kPa	460.68	Calculated Property
Pvap	202.63	kPa	477.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hepten-1-ol, (E)-.

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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