Chemical Properties of 3,5-Hexadien-2-ol (CAS 3280-51-1)

InChI

InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3-7H,1H2,2H3/b5-4+

InChI Key

VAOJQRMYAXTUQI-SNAWJCMRSA-N

Formula

C6H10O

SMILES

C=CC=CC(C)O

Molecular Weight¹

98.14

CAS

3280-51-1

• 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.
• 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	0.4925		Relay (1.0) Calculated Property
ΔfG°	28.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-159.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.78	kJ/mol	Joback Calculated Property
ΔvapH°	55.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-0.42		Relay (1.0) Calculated Property
logPoct/wat	1.109		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3906.25	kPa	Joback Calculated Property
Inp	[775.00; 786.00]
Inp	775.00		NIST
Inp	786.00		NIST
Tboil	402.84	K	Relay (1.0) Calculated Property
Tc	568.20	K	Relay (1.0) Calculated Property
Tfus	269.85	K	Relay (1.0) Calculated Property
Vc	0.331	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.33; 222.84]	J/mol×K	[429.26; 605.20]
Cp,gas	176.33	J/mol×K	429.26	Joback Calculated Property
Cp,gas	185.12	J/mol×K	458.58	Joback Calculated Property
Cp,gas	193.47	J/mol×K	487.91	Joback Calculated Property
Cp,gas	201.40	J/mol×K	517.23	Joback Calculated Property
Cp,gas	208.92	J/mol×K	546.55	Joback Calculated Property
Cp,gas	216.06	J/mol×K	575.88	Joback Calculated Property
Cp,gas	222.84	J/mol×K	605.20	Joback Calculated Property
η	[0.0001948; 0.2199580]	Pa×s	[196.36; 429.26]
η	0.2199580	Pa×s	196.36	Joback Calculated Property
η	0.0259231	Pa×s	235.18	Joback Calculated Property
η	0.0055996	Pa×s	273.99	Joback Calculated Property
η	0.0017693	Pa×s	312.81	Joback Calculated Property
η	0.0007210	Pa×s	351.63	Joback Calculated Property
η	0.0003512	Pa×s	390.44	Joback Calculated Property
η	0.0001948	Pa×s	429.26	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[306.93; 430.62]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56104e+01
Coefficient B			-3.88524e+03
Coefficient C			-5.33670e+01
Temperature range, min.			306.93
Temperature range, max.			430.62
Pvap	1.33	kPa	306.93	Calculated Property
Pvap	2.93	kPa	320.67	Calculated Property
Pvap	5.97	kPa	334.42	Calculated Property
Pvap	11.37	kPa	348.16	Calculated Property
Pvap	20.45	kPa	361.90	Calculated Property
Pvap	34.98	kPa	375.65	Calculated Property
Pvap	57.28	kPa	389.39	Calculated Property
Pvap	90.22	kPa	403.13	Calculated Property
Pvap	137.31	kPa	416.88	Calculated Property
Pvap	202.67	kPa	430.62	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Hexadien-2-ol.

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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