Chemical Properties of cis-1,2-Cyclohexanediol (CAS 1792-81-0)

InChI

InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+

InChI Key

PFURGBBHAOXLIO-OLQVQODUSA-N

Formula

C6H12O2

SMILES

OC1CCCCC1O

Molecular Weight¹

116.16

CAS

1792-81-0

Other Names

• 1,2-Cyclohexanediol, (Z)-
• 1,2-cyclohexanediol, cis-
• Grandidentol
• cis-1,2-Dihydroxycyclohexane

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6002		Relay (1.0) Calculated Property
ΔcH°solid	[-3521.00; -3516.00]	kJ/mol
ΔcH°solid	-3521.00	kJ/mol	NIST
ΔcH°solid	-3516.00 ± 0.40	kJ/mol	NIST
ΔfG°	-257.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-405.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.38	kJ/mol	Joback Calculated Property
ΔvapH°	87.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-0.59		Relay (1.0) Calculated Property
logPoct/wat	0.282		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Pc	4835.95	kPa	Joback Calculated Property
Tboil	501.46	K	Relay (1.0) Calculated Property
Tc	707.59	K	Relay (1.0) Calculated Property
Tfus	371.15 ± 1.00	K	NIST

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.23; 300.56]	J/mol×K	[535.92; 720.36]
Cp,gas	241.23	J/mol×K	535.92	Joback Calculated Property
Cp,gas	252.43	J/mol×K	566.66	Joback Calculated Property
Cp,gas	263.09	J/mol×K	597.40	Joback Calculated Property
Cp,gas	273.22	J/mol×K	628.14	Joback Calculated Property
Cp,gas	282.84	J/mol×K	658.88	Joback Calculated Property
Cp,gas	291.95	J/mol×K	689.62	Joback Calculated Property
Cp,gas	300.56	J/mol×K	720.36	Joback Calculated Property
Cp,solid	[89.60; 192.50]	J/mol×K	[174.30; 350.20]
Cp,solid	89.60	J/mol×K	174.30	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	92.70	J/mol×K	185.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	100.00	J/mol×K	193.10	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	101.10	J/mol×K	202.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	111.00	J/mol×K	215.90	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	121.10	J/mol×K	230.10	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	127.30	J/mol×K	248.10	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	134.90	J/mol×K	259.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	138.20	J/mol×K	266.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	141.40	J/mol×K	273.10	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	148.80	J/mol×K	278.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	151.10	J/mol×K	283.00	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	152.00	J/mol×K	288.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	154.20	J/mol×K	288.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	157.80	J/mol×K	293.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	157.60	J/mol×K	293.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	160.40	J/mol×K	298.10	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	162.00	J/mol×K	300.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	163.90	J/mol×K	300.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	168.00	J/mol×K	308.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	166.40	J/mol×K	308.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	171.90	J/mol×K	316.00	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	175.00	J/mol×K	323.30	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	177.20	J/mol×K	328.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	180.80	J/mol×K	333.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	184.30	J/mol×K	339.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	186.20	J/mol×K	344.10	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	190.00	J/mol×K	346.30	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	191.80	J/mol×K	348.10	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
Cp,solid	192.50	J/mol×K	350.20	molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
η	[0.0000802; 0.0909733]	Pa×s	[282.16; 535.92]
η	0.0909733	Pa×s	282.16	Joback Calculated Property
η	0.0131225	Pa×s	324.45	Joback Calculated Property
η	0.0029585	Pa×s	366.75	Joback Calculated Property
η	0.0009076	Pa×s	409.04	Joback Calculated Property
η	0.0003475	Pa×s	451.33	Joback Calculated Property
η	0.0001568	Pa×s	493.63	Joback Calculated Property
η	0.0000802	Pa×s	535.92	Joback Calculated Property
ΔfusH	[3.30; 20.27]	kJ/mol	[360.40; 373.20]
ΔfusH	19.89	kJ/mol	360.40	NIST
ΔfusH	3.30	kJ/mol	371.60	NIST
ΔfusH	3.32	kJ/mol	371.60	NIST
ΔfusH	3.32	kJ/mol	371.60	NIST
ΔfusH	20.27	kJ/mol	373.20	NIST
ΔsubH	43.70	kJ/mol	304.50	NIST
ΔfusS	[8.93; 55.19]	J/mol×K	[360.40; 371.60]
ΔfusS	55.19	J/mol×K	360.40	NIST
ΔfusS	8.93	J/mol×K	371.60	NIST

Similar Compounds

Find more compounds similar to cis-1,2-Cyclohexanediol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• molar heat capacities of 1,2-cyclohexanediol isomers from (173 to 428) K
• Joback Method
• McGowan Method
• NIST Webbook

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