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

CCCCC=CCO

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

• 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°	-48.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-222.82	kJ/mol	Joback Calculated Property
ΔfusH°	18.18	kJ/mol	Joback Calculated Property
ΔvapH°	47.81	kJ/mol	Joback Calculated Property
log10WS	-1.87		Crippen 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	455.90	K	Joback Calculated Property
Tc	623.65	K	Joback Calculated Property
Tfus	224.39	K	Joback Calculated Property
Vc	0.426	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[231.48; 286.52]	J/mol×K	[455.90; 623.65]
Cp,gas	231.48	J/mol×K	455.90	Joback Calculated Property
Cp,gas	241.71	J/mol×K	483.86	Joback Calculated Property
Cp,gas	251.49	J/mol×K	511.82	Joback Calculated Property
Cp,gas	260.84	J/mol×K	539.78	Joback Calculated Property
Cp,gas	269.79	J/mol×K	567.74	Joback Calculated Property
Cp,gas	278.34	J/mol×K	595.69	Joback Calculated Property
Cp,gas	286.52	J/mol×K	623.65	Joback Calculated Property
η	[0.0001710; 0.0712349]	Pa×s	[224.39; 455.90]
η	0.0712349	Pa×s	224.39	Joback Calculated Property
η	0.0124675	Pa×s	262.97	Joback Calculated Property
η	0.0034085	Pa×s	301.56	Joback Calculated Property
η	0.0012506	Pa×s	340.14	Joback Calculated Property
η	0.0005629	Pa×s	378.73	Joback Calculated Property
η	0.0002936	Pa×s	417.31	Joback Calculated Property
η	0.0001710	Pa×s	455.90	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.54; 202.63]	kPa	[330.15; 477.00]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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