Chemical Properties of 3-Octen-1-ol (CAS 18185-81-4)

InChI

InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5+

InChI Key

YDXQPTHHAPCTPP-AATRIKPKSA-N

Formula

C8H16O

SMILES

CCCCC=CCCO

Molecular Weight¹

128.21

CAS

18185-81-4

Other Names

• 3-Octenol
• Oct-3-en-1-ol
• Oct-3-en-1-ol (Isomer 2)

• 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 : 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°	-40.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-243.46	kJ/mol	Joback Calculated Property
ΔfusH°	20.77	kJ/mol	Joback Calculated Property
ΔvapH°	50.04	kJ/mol	Joback Calculated Property
log10WS	-2.29		Crippen Calculated Property
logPoct/wat	2.115		Crippen Calculated Property
McVol	125.150	ml/mol	McGowan Calculated Property
Pc	2947.28	kPa	Joback Calculated Property
I	[1438.00; 1444.00]
I	1444.00		NIST
I	1441.00		NIST
I	1440.00		NIST
I	1438.00		NIST
I	1438.00		NIST
I	1444.00		NIST
Tboil	478.78	K	Joback Calculated Property
Tc	645.49	K	Joback Calculated Property
Tfus	235.66	K	Joback Calculated Property
Vc	0.482	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[273.29; 333.60]	J/mol×K	[478.78; 645.49]
Cp,gas	273.29	J/mol×K	478.78	Joback Calculated Property
Cp,gas	284.49	J/mol×K	506.57	Joback Calculated Property
Cp,gas	295.20	J/mol×K	534.35	Joback Calculated Property
Cp,gas	305.44	J/mol×K	562.14	Joback Calculated Property
Cp,gas	315.25	J/mol×K	589.92	Joback Calculated Property
Cp,gas	324.63	J/mol×K	617.71	Joback Calculated Property
Cp,gas	333.60	J/mol×K	645.49	Joback Calculated Property
η	[0.0001449; 0.0553869]	Pa×s	[235.66; 478.78]
η	0.0553869	Pa×s	235.66	Joback Calculated Property
η	0.0099375	Pa×s	276.18	Joback Calculated Property
η	0.0027674	Pa×s	316.70	Joback Calculated Property
η	0.0010300	Pa×s	357.22	Joback Calculated Property
η	0.0004689	Pa×s	397.74	Joback Calculated Property
η	0.0002469	Pa×s	438.26	Joback Calculated Property
η	0.0001449	Pa×s	478.78	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[361.72; 503.01]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55989e+01
Coefficient B			-4.42976e+03
Coefficient C			-7.24080e+01
Temperature range, min.			361.72
Temperature range, max.			503.01
Pvap	1.33	kPa	361.72	Calculated Property
Pvap	2.93	kPa	377.42	Calculated Property
Pvap	5.97	kPa	393.12	Calculated Property
Pvap	11.37	kPa	408.82	Calculated Property
Pvap	20.46	kPa	424.52	Calculated Property
Pvap	35.00	kPa	440.21	Calculated Property
Pvap	57.30	kPa	455.91	Calculated Property
Pvap	90.24	kPa	471.61	Calculated Property
Pvap	137.32	kPa	487.31	Calculated Property
Pvap	202.67	kPa	503.01	Calculated Property

Similar Compounds

Find more compounds similar to 3-Octen-1-ol.

Sources

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

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